VMD-L Mailing List

From: fan li (fanliqmul_at_gmail.com)
Date: Sat Apr 21 2018 - 08:57:35 CDT

Hi everyone

I am using the topo writegmxtop to conver the psf file to top file. The
command I used is "topo writegmxtop my.top [list parameterfile1.prm]".
The angles and dihedrals are correct, but the "type" column in atoms
directive is same as the "atom" column (I mean C1, C2 are the labels for
the "atom", but it should be same label as the one in the forcefiled in the
"type" column ,but it is not in my case). The atom type is already in my
psf file and parameterfile1.prm file, and there is no errors and warnings
during the conversion.

Is there something wrong or it the right result?

Fan Li