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

[Justin A. Lemkul]

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

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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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