使用Multiwfn+VMD快速地绘制静电势着色的分子范德华表面图和分子间穿透图(含视频) - 波函数分析与Multiwfn ...

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最后,再看怎么把范德华表面静电势极值点位置显示出来。双击ESPext.bat开始计算,它所干的事和ESPpt.bat一样,只不过还额外产生一个记录极值点的surfanalysis.pdb文件。


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