[gmx-users] Re: Structure preparation for the simulation

Justin A. Lemkul jalemkul at vt.edu
Tue Nov 1 14:11:45 CET 2011

James Starlight wrote:
> Itamar, thank you for advise but I dont like swith prot :))
> Justin, what xleap prameter set have you used for KALP peptide? I want 
> to find parameters wich would not affect any problems in my further 
> simulation via gromos in Gromacs.

I only used xleap to build the caps.  Anything else was irrelevant.



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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