[gmx-users] unexpected trajectory

Dallas Warren dallas.warren at vcp.monash.edu.au
Wed Jun 11 05:14:01 CEST 2003

>>yes, i added that condition in .mdp file. but am not able to keep the 
>>water box intact.

What if you use trjconv -pbc whole?

May be they are still "within" the box?

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
When the only tool you own is a hammer, every problem begins to resemble a nail.
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