[gmx-users] simulation with amber10 and gromacs 4.5.1
tsjerkw at gmail.com
Thu Sep 15 21:06:45 CEST 2011
You should carefully compare all run parameters that were active in either
program. Sending the parameter files to the list might raise some useful
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 A. Lemkul
ICTAS Doctoral Scholar
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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