Dear Mark,

did the .tpr actually match the trajectory file?

Sorry, that was indeed the problem (mismatch of -f and -s files).

Thanks for the hint


Harry M. Greenblatt
Associate Staff Scientist
Dept of Structural Biology  <>
Weizmann Institute of Science        Phone:  972-8-934-6340
234 Herzl St.                        Facsimile:   972-8-934-3361
Rehovot, 7610001

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