[gmx-users] MD simulation in glycerol solvent

[Justin A. Lemkul]

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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-- 
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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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