Done 2011/10/10 Mark Abraham <mark.abra...@anu.edu.au>
> On 11/10/2011 4:51 AM, César Ávila wrote: > > v4.5.4 > As I commented above, I had to manually add an entrance for the cmap terms > in the topology file as pdb2gmx would not generate them for the alanine > dipeptide. There seems to be no problem for larger peptides. > Cheers > Cesar > > > That sounds like a bug. Please describe your symptoms in a new issue here - > http://redmine.gromacs.org > > Mark > > > 2011/10/10 Jianguo Li <ljg...@yahoo.com.sg> > >> which gromacs version are you using? cMAP is implemented in v4.5 or >> later >> Jianguo >> >> ------------------------------ >> *From:* César Ávila <clav...@gmail.com> >> *To:* Discussion list for GROMACS users <gmx-users@gromacs.org> >> *Sent:* Sunday, 9 October 2011 12:07 AM >> *Subject:* [gmx-users] CMAP for alanine dipeptide in Charmm27 ff >> >> I would like to run REMD simulations on the alanine dipeptide using the >> Charmm27ff + CMAP. Still, after processing the pdb with pdb2gmx, I do not >> see any entrance referring to the cmap term in the topology file. Does this >> mean that Cmap won't be calculated? >> >> >> -- >> gmx-users mailing list gmx-users@gromacs.org >> http://lists.gromacs.org/mailman/listinfo/gmx-users >> Please search the archive at >> http://www.gromacs.org/Support/Mailing_Lists/Search before posting! >> Please don't post (un)subscribe requests to the list. Use the >> www interface or send it to gmx-users-requ...@gromacs.org. >> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >> >> >> -- >> gmx-users mailing list gmx-users@gromacs.org >> http://lists.gromacs.org/mailman/listinfo/gmx-users >> Please search the archive at >> http://www.gromacs.org/Support/Mailing_Lists/Search before posting! >> Please don't post (un)subscribe requests to the list. Use the >> www interface or send it to gmx-users-requ...@gromacs.org. >> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >> > > > > > > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >
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