ajanihar...@gmail.com wrote:
Hello everyone,
I am using gromacs 4.5 version.
I am from cadila healthcare ltd.
I have protein with ligand file. But I can't submit prodrg server bcoz this
confidancial data.
I want to genrate .itp without using prodrg server.
Have any way that i can genrate .itp file.
Plz help me out.
Your best resources are Chapter 5 of the manual and the primary literature for
your chosen force field. There are a couple of user-contributed programs posted
on the Gromacs site that will produce topologies, but nothing should supplant a
proper parameterization procedure.
http://www.gromacs.org/Downloads/User_contributions/Other_software
http://www.gromacs.org/Documentation/How-tos/Parameterization
-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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