[gmx-users] cmap error while making tpr file from dcd file
mark.j.abraham at gmail.com
Thu Jun 13 20:34:22 CEST 2019
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.
On Thu., 13 Jun. 2019, 18:10 Santanu Santra, <santop420 at gmail.com> wrote:
> 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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