[gmx-users] CMAP for alanine dipeptide in Charmm27 ff

[César Ávila]

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

2011/10/10 Jianguo Li <ljggmx at yahoo.com.sg>

> which gromacs version are you using? cMAP is implemented in v4.5  or later
> Jianguo
>
> ------------------------------
> *From:* César Ávila <clavila at gmail.com>
> *To:* Discussion list for GROMACS users <gmx-users at 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 at 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-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
>
> --
> gmx-users mailing list    gmx-users at 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-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20111010/c6e84117/attachment.html>