[gmx-users] simulation with amber10 and gromacs 4.5.1

[Tsjerk Wassenaar]

Hey vrk.

You should carefully compare all run parameters that were active in either
program. Sending the parameter files to the list might raise some useful
suggestions.

Cheers,

Tsjerk

On Sep 14, 2011 3:53 PM, "Justin A. Lemkul" <jalemkul at vt.edu> wrote:

vijayaraj ramadoss wrote: > > Hello Users, > > Previous I have done
simulation of small protein us...
Did you run replicates of each system, or are you basing your observations
on a single trajectory?  You need to compare properly sampled systems.  A
single trajectory is generally not enough to make reliable conclusions.

-Justin

-- 
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Justin A. Lemkul
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Department of Biochemistry
Virginia Tech
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