On 01/27/11, bharat gupta <bharat.85.m...@gmail.com> wrote: > Hi, > > I did a 3ns simulation of a 236 amino acid protein (GFP, a beta barrel > protein), after checking the trajectory it seems that from the first frame > itself almost half portion of the two beta strands (159-171, 174-187) of GFP > got converted into a loop like structure .. which should not happen in > general.. and this change is found to be present from the first frame > itself... >
If it's in the first frame, when was it written and how does it compare to the coordinates you gave to grompp? Mark > So I want to know where can the fault be ... I followed the instructions for > simulation from the lysozyme tutorial.. Pls help .. > > > -- > Bharat > Ph.D. Candidate > > >
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