[gmx-users] Problems with grompp

Dallas Warren dallas.warren at vcp.monash.edu.au
Fri Mar 21 03:00:29 CET 2003


>             Last week I did the same calculation and everything went 
> fine. Can someone guess what is happening ? ..

Something happened to the ff###.atp file on the machine you are running it 
on, you are running it on a different machine which has a different 
ff###.atp file, or you are selecting a different ff### in the .top file.

Catch ya,

Dr. Dallas Warren
Research Fellow
Department of Pharmaceutical Biology and Pharmacology
Victorian College of Pharmacy
Monash University
381 Royal Parade
Parkville VIC 3010
dallas.warren at vcp.monash.edu.au
+61 3 9903 9083
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