Dear Experts, Hi, I have done equilibration of a protein but during equilibration due to power supply cut off a crash occurred after which I restarted with the command tpbconv.
Now I want to start molecular dynamics simulation but confused how to start them.My files before crash are: Pr.mdp pr.tpr pr .trr pr.edr pr.log while the files generated after crash are: myrestar.edr myrestart.gro myrestart.log restart.tpr while my md input file is md.mdp Please wrote a command in ful from my files so that I can continue my work. Will be thankful for your help. Regards, Lal badshah. SYED LAL BADSHAH M.Phil Scholar NCE in Physical Chemistry, University of Peshawar. NWFP,Pakistan. Cell # 03349060632. Send instant messages to your online friends http://uk.messenger.yahoo.com
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