[gmx-users] Windows Gromacs Issue
r.k.badhan at stud.man.ac.uk
Sat Nov 22 21:11:01 CET 2003
I'm running a simulation of a protein in the windows version of
I have three versions of the same protein, and am running version 1
on one PC (500ps simulation) which is running fine.
I run version number two, and when initiating the final MDRUN to
start the simulation, mdrun gets to the point of :
250000 steps etc....
Before backing up the trr files and exiting with:
Back off! Just backup step0.pdb to ......
Wrote PDB with previous and current coordinates
before the the command prompt crashes saying MDRUN caused it
I have run this simulation on two PC (windows XP) and they both
end the same way, and I have no idea why.
(The 20ps position restrained sim. works OK too).
Mr Raj Badhan
School of Pharmacy and Pharmacetical Science
The University of Manchester
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