[gmx-users] Re: protein unstable for parallel job while stable for serial one

uggest what care should I take in order to exclude other effects when I repeat the simulation. Thanx Akansha >Hope it helps, > >Tsjerk >On 9/18/06, Akansha Saxena >wrote: >> Hello >> >> Has anybody seen a protein becoming unstable on >> parallel nodes while

[gmx-users] protein unstable for parallel job while stable for serial one

highly appreciated. Akansha Akansha Saxena Graduate Student Department of Biomedical Engineering Washington University in St Louis __ Do You Yahoo!? Tired of spam? Yahoo! Mail has the best spam protection around http://mail.yahoo.com

[gmx-users] system is exploding!!!!!

Hello Gmx users I have recently upgraded to gromacs3.3. I was running an MD simulation of a protein-ion complex immersed in water, on gromacs3.2 before and it worked fine. Later I rerun the same simulation on gromacs 3.3 but with different starting velocity. I am getting this error now: Warning: