Sanku M wrote:
Hi,
I wanted to run an atomistic simulation where I would like to
constrain helicity of a helical peptide( i.e the initial configuration
is an ideal helix) . I was wondering whether there is a way to constrain
the helix dihedral angles in Gromacs. Also, if there is any other option
to keep the molecule helix, please let me know.
Read in the manual about dihedral restraints (not constraints).
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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
