On 5/25/12 5:04 PM, Steven Neumann wrote:
On Fri, May 25, 2012 at 2:34 PM, Justin A. Lemkul <jalem...@vt.edu
<mailto:jalem...@vt.edu>> wrote:
On 5/25/12 5:52 AM, Steven Neumann wrote:
Dear Gmx Users,
My system is made of 3 proteins. As I want to use distance restraints
dynamics
between atoms belonging to each of them I have to produce topoloy with
one
moleculetype. I used pdb2gmx -chainsep interactive (I used merge: yes).
Then when I process to grompp the error: "unknown cmap torsion between
atoms
......."
These atoms belong to the last residue of the chain A and to the first
residue
of Chain B. How to get rid of this? Please, help.
http://redmine.gromacs.org/__issues/885
<http://redmine.gromacs.org/issues/885>
Either apply Mark's patch posted there or download the latest
release-4-5-patches branch via git.
-Justin
Thanks! I need to talk to the administrator as the Gromacs I am using is on the
cluster. Would you suggest to install GMX 4.5.5 first and then apply the patch?
It is generally best to work with the latest version unless you have some reason
(like scientific continuity) to use an old version, especially when applying
patches and bug fixes. You can always install within your own home directory if
you don't want to wait on an admin to install a (technically) non-standard
Gromacs version system-wide.
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
--
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
