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@Jerkwin
Jerkwin committed Apr 8, 2024
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22 changes: 14 additions & 8 deletions README.md
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<td><a href="https://jerkwin.github.io/2019/11/19/%E5%9C%A8%E7%BA%BF%E8%AE%A1%E7%AE%97%E5%85%BC%E5%8D%95%E4%BD%8D%E6%8D%A2%E7%AE%97%E5%99%A8/">在线计算兼单位换算器</a></td>
<td><a href="./calc/calc.html">calc</a><br>
<a href="./calc/gnuecharts.html">gnuECharts</a></td>
<td>N/A</td>
</tr>

<tr>
<td><code>wvmd</code></td>
<td><a href="https://jerkwin.github.io/2017/02/11/%E8%87%AA%E5%8A%A8%E8%B0%83%E6%95%B4VMD%E7%AA%97%E5%8F%A3%E7%9A%84%E4%BD%8D%E7%BD%AE%E5%92%8C%E5%A4%A7%E5%B0%8F/">自动调整VMD窗口的位置和大小</a></td>
<td><a href="./wvmd/wvmd.zip">wvmd.zip</a></td>
<td>N/A</td>
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Expand All @@ -40,7 +38,6 @@
<a href="https://jerkwin.github.io/2020/06/03/%E7%9F%B3%E5%A2%A8%E7%83%AF%E5%B9%B3%E9%9D%A2%E7%9A%84%E5%8D%B7%E6%9B%B2%E4%B8%8E%E6%89%AD%E6%9B%B2/">石墨烯平面的卷曲与扭曲</a><br>
</td>
<td><a href="./model/graphene.html">graphene</a></td>
<td>N/A</td>
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<td><code>gmx_ir</code></td>
<td><a href="https://jerkwin.github.io/2017/08/20/%E4%BD%BF%E7%94%A8GROMACS%E8%AE%A1%E7%AE%97%E7%BA%A2%E5%A4%96%E5%85%89%E8%B0%B1/">使用GROMACS计算红外光谱</a></td>
<td><a href="https://jerkwin.github.io/2017/08/20/%E4%BD%BF%E7%94%A8GROMACS%E8%AE%A1%E7%AE%97%E7%BA%A2%E5%A4%96%E5%85%89%E8%B0%B1/">使用GROMACS计算红外光谱</a><br>
<a href="https://jerkwin.github.io/2024/04/08/trr%E8%BD%A8%E8%BF%B9%E8%BD%AC%E6%8D%A2%E7%A8%8B%E5%BA%8Ftrr2all/">trr轨迹转换程序trr2all</a>
</td>
<td><a href="./gmx_ir/gmx_ir.bsh">gmx_ir.bsh</a></td>
<td>N/A</td>
</tr>

<tr>
<td><code>trr2all</code></td>
<td><a href="https://jerkwin.github.io/2017/08/20/%E4%BD%BF%E7%94%A8GROMACS%E8%AE%A1%E7%AE%97%E7%BA%A2%E5%A4%96%E5%85%89%E8%B0%B1/">使用GROMACS计算红外光谱</a><br>
<a href="https://jerkwin.github.io/2024/04/08/trr%E8%BD%A8%E8%BF%B9%E8%BD%AC%E6%8D%A2%E7%A8%8B%E5%BA%8Ftrr2all/">trr轨迹转换程序trr2all</a>
</td>
<td><a href="./trr2all/trr2all.exe">trr2all.exe</a></td>
<td><a href="./trr2all/spc216.zip">spc216.zip</a></td>
</tr>

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Expand All @@ -110,7 +117,6 @@
<td><code>remd_tgenerator</code></td>
<td><a href="https://jerkwin.github.io/2021/09/30/副本交换动力学T-REMD模拟的温度分布计算器/">副本交换动力学T-REMD模拟的温度分布计算器</a></td>
<td><a href="./remd_tgenerator/remd_tgenerator.html">remd_tgenerator</a></td>
<td>N/A</td>
</tr>

<tr>
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<tr>
<td><code>cagen</code></td>
<td><a href="https://jerkwin.github.io/2022/09/02/%E6%B0%B4%E6%BA%B6%E6%B6%B2%E4%BD%93%E7%B3%BB%E6%88%90%E7%AC%BC%E5%88%86%E6%9E%90%E7%A8%8B%E5%BA%8Fcagen/">水溶液体系成笼分析程序cagen</a></td>
<td>N/A</td>
<td></td>
<td><a href="./cagen/cagen.zip">cagen.zip</a></td>
</tr>

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<tr>
<td><code>matchmol</code></td>
<td><a href="https://jerkwin.github.io/2023/06/02/%E5%88%86%E5%AD%90%E7%BB%93%E6%9E%84%E5%8C%B9%E9%85%8D%E7%A8%8B%E5%BA%8Fmatchmol/">分子结构匹配程序matchmol</a></td>
<td>N/A</td>
<td></td>
<td><a href="./matchmol/matchmol.zip">matchmol.zip</a></td>
</tr>

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17 changes: 8 additions & 9 deletions index.html
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Expand Up @@ -32,14 +32,12 @@ <h2 id="Tools">Tools</h2></p>
<td><a href="https://jerkwin.github.io/2019/11/19/%E5%9C%A8%E7%BA%BF%E8%AE%A1%E7%AE%97%E5%85%BC%E5%8D%95%E4%BD%8D%E6%8D%A2%E7%AE%97%E5%99%A8/">在线计算兼单位换算器</a></td>
<td><a href="./calc/calc.html">calc</a><br>
<a href="./calc/gnuecharts.html">gnuECharts</a></td>
<td>N/A</td>
</tr>

<tr>
<td><code>wvmd</code></td>
<td><a href="https://jerkwin.github.io/2017/02/11/%E8%87%AA%E5%8A%A8%E8%B0%83%E6%95%B4VMD%E7%AA%97%E5%8F%A3%E7%9A%84%E4%BD%8D%E7%BD%AE%E5%92%8C%E5%A4%A7%E5%B0%8F/">自动调整VMD窗口的位置和大小</a></td>
<td><a href="./wvmd/wvmd.zip">wvmd.zip</a></td>
<td>N/A</td>
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<tr>
Expand All @@ -51,7 +49,6 @@ <h2 id="Tools">Tools</h2></p>
<a href="https://jerkwin.github.io/2020/06/03/%E7%9F%B3%E5%A2%A8%E7%83%AF%E5%B9%B3%E9%9D%A2%E7%9A%84%E5%8D%B7%E6%9B%B2%E4%B8%8E%E6%89%AD%E6%9B%B2/">石墨烯平面的卷曲与扭曲</a><br>
</td>
<td><a href="./model/graphene.html">graphene</a></td>
<td>N/A</td>
</tr>

<tr>
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<tr>
<td><code>gmx_ir</code></td>
<td><a href="https://jerkwin.github.io/2017/08/20/%E4%BD%BF%E7%94%A8GROMACS%E8%AE%A1%E7%AE%97%E7%BA%A2%E5%A4%96%E5%85%89%E8%B0%B1/">使用GROMACS计算红外光谱</a></td>
<td><a href="https://jerkwin.github.io/2017/08/20/%E4%BD%BF%E7%94%A8GROMACS%E8%AE%A1%E7%AE%97%E7%BA%A2%E5%A4%96%E5%85%89%E8%B0%B1/">使用GROMACS计算红外光谱</a><br>
<a href="https://jerkwin.github.io/2024/04/08/trr%E8%BD%A8%E8%BF%B9%E8%BD%AC%E6%8D%A2%E7%A8%8B%E5%BA%8Ftrr2all/">trr轨迹转换程序trr2all</a>
</td>
<td><a href="./gmx_ir/gmx_ir.bsh">gmx_ir.bsh</a></td>
<td>N/A</td>
</tr>

<tr>
<td><code>trr2all</code></td>
<td><a href="https://jerkwin.github.io/2017/08/20/%E4%BD%BF%E7%94%A8GROMACS%E8%AE%A1%E7%AE%97%E7%BA%A2%E5%A4%96%E5%85%89%E8%B0%B1/">使用GROMACS计算红外光谱</a></td>
<td><a href="https://jerkwin.github.io/2017/08/20/%E4%BD%BF%E7%94%A8GROMACS%E8%AE%A1%E7%AE%97%E7%BA%A2%E5%A4%96%E5%85%89%E8%B0%B1/">使用GROMACS计算红外光谱</a><br>
<a href="https://jerkwin.github.io/2024/04/08/trr%E8%BD%A8%E8%BF%B9%E8%BD%AC%E6%8D%A2%E7%A8%8B%E5%BA%8Ftrr2all/">trr轨迹转换程序trr2all</a>
</td>
<td><a href="./trr2all/trr2all.exe">trr2all.exe</a></td>
<td><a href="./trr2all/spc216.zip">spc216.zip</a></td>
</tr>
Expand All @@ -128,7 +128,6 @@ <h2 id="Tools">Tools</h2></p>
<td><code>remd_tgenerator</code></td>
<td><a href="https://jerkwin.github.io/2021/09/30/副本交换动力学T-REMD模拟的温度分布计算器/">副本交换动力学T-REMD模拟的温度分布计算器</a></td>
<td><a href="./remd_tgenerator/remd_tgenerator.html">remd_tgenerator</a></td>
<td>N/A</td>
</tr>

<tr>
Expand All @@ -143,7 +142,7 @@ <h2 id="Tools">Tools</h2></p>
<tr>
<td><code>cagen</code></td>
<td><a href="https://jerkwin.github.io/2022/09/02/%E6%B0%B4%E6%BA%B6%E6%B6%B2%E4%BD%93%E7%B3%BB%E6%88%90%E7%AC%BC%E5%88%86%E6%9E%90%E7%A8%8B%E5%BA%8Fcagen/">水溶液体系成笼分析程序cagen</a></td>
<td>N/A</td>
<td></td>
<td><a href="./cagen/cagen.zip">cagen.zip</a></td>
</tr>

Expand All @@ -159,7 +158,7 @@ <h2 id="Tools">Tools</h2></p>
<tr>
<td><code>matchmol</code></td>
<td><a href="https://jerkwin.github.io/2023/06/02/%E5%88%86%E5%AD%90%E7%BB%93%E6%9E%84%E5%8C%B9%E9%85%8D%E7%A8%8B%E5%BA%8Fmatchmol/">分子结构匹配程序matchmol</a></td>
<td>N/A</td>
<td></td>
<td><a href="./matchmol/matchmol.zip">matchmol.zip</a></td>
</tr>

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