김현식 wrote:
Dear experts,
hi, I'm using Gromacs for implicit solvent system, Can anybody let me
know hot to prepare the implicit solvent system??
Just as you would any other system, except you don't need to define a unit cell
full of water and ions. pdb2gmx, grompp, mdrun. There are benchmarks and
example input files on the Gromacs site.
-Justin
Thanks
--
========================================
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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