Sorry for the ambiguous question! 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. Thank you very much! Best wishes!
在 2020年4月29日星期三 UTC+8下午8:42:22，Jens Wehner写道： > > Hello, > > I do not really understand what your question is. > > What exactly do you want to do? Do you want to do coarse graining or > charge transport? > > There is no limit on the number of fragments. Which molecular dynamics > code are you using? > > Cheers Jens > > Am Mittwoch, 29. April 2020 13:20:38 UTC+2 schrieb 王建安: >> >> Hi, >> >> Less than 10 fragments can be divided for a segment? >> >> If a molecule is going to divided into several segment, how can I prepare >> the .pdb file to generate right mapping.xml? >> >> Kind regard! >> > -- Join us on Slack: https://join.slack.com/t/votca/signup --- You received this message because you are subscribed to the Google Groups "votca" group. To unsubscribe from this group and stop receiving emails from it, send an email to [email protected]. To view this discussion on the web visit https://groups.google.com/d/msgid/votca/e6bf2539-68c3-4c15-9aec-e789ddc55d69%40googlegroups.com.
