[gmx-users] Charmm for Proteins
Peter C. Lai
pcl at uab.edu
Thu Sep 13 17:28:44 CEST 2012
charmm27 is the canonical charmm protein FF, which is supported by gromacs.
Note that if you are using gromacs prior to 4.5.5 to use -nochargegrp when
using pdb2gmx when parameterizing your protein.
On 2012-09-13 04:19:16PM +0100, Steven Neumann wrote:
> Dear All,
> Could you please write me which is the latest version of Charmm force
> field for proteins? I want to study protein folding in explicit
> solvent. Is it available in Gromacs?
> gmx-users mailing list gmx-users at gromacs.org
> * 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
Peter C. Lai | University of Alabama-Birmingham
Programmer/Analyst | KAUL 752A
Genetics, Div. of Research | 705 South 20th Street
pcl at uab.edu | Birmingham AL 35294-4461
(205) 690-0808 |
More information about the gromacs.org_gmx-users