[gmx-users] cmap error while making tpr file from dcd file

Santanu Santra santop420 at gmail.com
Thu Jun 13 17:09:23 CEST 2019

hey users,
                While I'm trying to calculate some properties in gromacs
from dcd files (NAMD), I followed the protocol in generating xtc file from
vmd by loading psf and pdb files, and by grompp engine using a similar mdp
file equivalent to my NAMD configuration file, I got CMAP error as
ERROR 1 [file xxx_350k.top, line 2163]:
  Unknown cmap torsion between atoms 8 10 12 27 29
And this is the first line in CMAP category of my xtc file, so I believe
it's unable to read CMAP part. Any kind of suggestion is highly appreciated
which can help me to get rid of the error or to generate tpr file from dcd
(NAMD) files.

Thanks in advance

Santanu Santra


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