VMD-L Mailing List

From: fan li (fanliqmul_at_gmail.com)
Date: Sun Mar 14 2021 - 13:12:00 CDT

it is a bug in vmd. Update to the 1.9.4 will solve the problem.

fan li <fanliqmul_at_gmail.com> 于2021年3月14日周日 下午5:03写道：

> Dear vmd users
>
> I built a structure of Analine with Molefacture in VMD, and changed the
> atom type according to the charmm 36 protein force field. Then I used the
> resulting PDB and PSF file to generate topology file using "topo
> writegmxtop try.top [list par_all36_prot.prm]" then I got the below error.
>
> #######
> Please cite the following publication:
> invalid command name "..."
> ####
>
> it seems something wrong with the atoms name, but not sure. Could anyone
> help me? The files I used are attached
>