[gmx-users] mderror
Anton Feenstra
feenstra at chem.vu.nl
Fri Apr 23 09:08:05 CEST 2004
goldsmith wrote:
> dear users,
> I ran a simulation on a protein using gromacs 3.2.1.I ran it sucessfully for 2.5ns.then i extended it for further 2.5ns using tpbconv -f run1.trr -s run1.tpr -e run1.edr -o run1resart.tpr -extend 2500.
> using run1resart.tpr I ran the md again .It ran fine for 3940ps ,then it terminated stating this error in the log file
Check the archivves. I've posted a recipe repeatedly to workaround
spurious run crashes by slight modification of the coordinates and
then re-starting.
--
Groetjes,
Anton
_____________ _______________________________________________________
| | |
| _ _ ___,| K. Anton Feenstra |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
|( | )| | | De Boelelaan 1083 - 1081 HV Amsterdam - Netherlands |
| \_/ \_/ | | | Tel: +31 20 44 47608 - Fax: +31 20 44 47610 |
| | Feenstra at chem.vu.nl - www.chem.vu.nl/~feenstra/ |
| | "If You See Me Getting High, Knock Me Down" |
| | (Red Hot Chili Peppers) |
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