[gmx-users] grompp, energy minimization,, output file error

Dallas B. Warren Dallas.Warren at pharm.monash.edu.au
Fri Apr 23 01:05:46 CEST 2010

For starters there is no residue name in your .gro file, you simply have a number.  First column should be …

1HEX  C1
1HEX H14

Catch ya,

Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.warren at pharm.monash.edu.au
+61 3 9903 9167
When the only tool you own is a hammer, every problem begins to resemble a nail.

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