segment question

[王建安]

Hi,

If I have several segments in a molecule, how to generate mapping.xml and fake topol.top file when using pdb2map and pdb2top tools.

It is very confusing for to obtain these two files when including several segments.

Another simple question:

for a segment, the  maximum number of fragments  is 9 or 10?

Best wishes!

[王建安]

 I was going to do charge transport, but the file of .gro or .pdb encountered an error and could not partition the molecule into above 9 fragments.

Fortunately, the related files were carefully checked, and I solved the problem. The fragments partitioning has no maximum limit.

Best wishes!

在 2020年4月28日星期二 UTC+8下午7:41:29，王建安写道：