[gmx-users] under boundary to box size or ngmx-problem?

Dallas Warren dallas.warren at vcp.monash.edu.au
Thu Aug 19 01:35:29 CEST 2004

>Pressure coupling was switched off, so the box size should have remained
>constant. In trjconv I only used -center and -pbc whole. That does not
>change it as well, does it? And the box size was already wrong before I
>used trjconv. Is there anything else that could change the box size? In
>ngmx is was much too big already in the beginning and the size did not
>change later.  But genbox always fills the whole box with water, doesn`t

Did you check the status box before and after using genbox in the .gro files?

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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