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, <[email protected]> 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 > follows::: > =============================================== > 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 > Regards > > Santanu Santra > > > > -- > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to [email protected]. > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to [email protected].
