haifeng yuan wrote:
Dear GROMACS users,
As a freshman in MD simulations, I am wondering whether it is
possible to carry out MD simulation of some specific peptides in
glycerol solvent. If possible, how to build the solvent box of glycerol
and solve the peptide into glycerol in GROMACS ?
Generate a coordinate file of a single molecule, replicate it with genconf, and
equilibrate.
-Justin
Thank you in advance.
Cheers,
Haifeng YUAN
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--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
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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