| Dear All... I was trying to move further and finally managed to move forward. I am explaining the problem in little more detail. The problem arises when the grompp before the mdrun is executed. I don't know why but it ask for -n option for its execution. I tried that also but still the error stays. So as far as i understand the problem now concerns only with the generation of the trr file before the mdrun. Could anyone help me in resolving this mystery? Many thanks.. Best regards nav ******************************************* Navratna Vajpai Ph. D student in Prof. Grzesiek's laboratory Department of Structural Biology Biozentrum, University of Basel Klingelbergstrasse 70, CH-4056 Basel, Switzerland. Phone- +41 61 267 2080(O) +41 78 744 0810(M) |
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