shahab shariati wrote:
Hi all
How I can obtain tip3p.itp and tip3p.gro files for amber force field to
use them in gromacs program for simulation?
You do not need a tip3p.gro, see here:
http://www.gromacs.org/Documentation/How-tos/TIP3P_coordinate_file
there are tip3p.itp and tip3p.gro files in top folder of gromacs which
are suitable for gromacs force fields no amber force fields.
AMBER-specific TIP3P parameter files (and some others) come with the ffamber
ports:
http://chemistry.csulb.edu/ffamber/
-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
========================================
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