On 3/18/13 12:35 PM, shahid nayeem wrote:
Hi
Is it possible to write .top file from .xtc and .tpr using index.ndx
so that .top is available for tailormade components of simulated
protein.
All topology information is in the .tpr, but not in .top format. You may be
able to post-process the output of gmxdump to produce some hacked version, but
that's just a bit of a hand-waving guess. I don't really understand what your
objective is.
-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
