[gmx-users] trjcat -settime
jalemkul at vt.edu
Sat Jul 14 18:31:33 CEST 2018
On 7/14/18 12:28 PM, Atila Petrosian wrote:
> Dear Justin,
> "This is addressed in basic tutorials if you're not familiar
> with it"
> I used mdp files from your web page (GROMACS Tutorials):
> Have these files problem?
They don't have problems, nor does the approach taken there. I'm making
guesses based on incomplete information. You haven't shown any sequences
of commands, proof that you have the coordinates in each .tpr that you
think you do, etc. I'm trying to rationalize weird data. Maybe you just
used npt.tpr as your reference for the RMSD calculation, which is what
makes the most sense, but again, providing your actual commands for
everything would save a lot of time.
Justin A. Lemkul, Ph.D.
Virginia Tech Department of Biochemistry
303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061
jalemkul at vt.edu | (540) 231-3129
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