Hi,
XTC files don't have CMAP and grompp doesn't accept them as the main input.
How exactly are you calling grompp to get such an error? The problem is
likely related to the .top file.
Mark
On Thu., 13 Jun. 2019, 18:10 Santanu Santra, wrote:
> hey users,
> While I'm trying to
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