On 8/21/17 5:25 PM, farial tavakoli wrote:
blockquote, div.yahoo_quoted { margin-left: 0 !important; border-left:1px
#715FFA solid !important; padding-left:1ex !important; background-color:white
!important; } Hi justin
Thank you so much for replyingAccording to the gromacs tuturial, i am trying to
analyse my complex in terms of RMSD. In order to do that, first it is needed to
obtain the average structure to get RMSD vs average structure . And average
structure is a side product of obtaining RMSF. Is there anyway that i can
calculate RMSD instead of geting RMSD vs average structure? If you want to
caculate RMSD , wont you perform this way?
I normally compute RMSD vs. the equilibrated structure or vs. the
crystal structure, not an average structure.
-Justin
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Justin A. Lemkul, Ph.D.
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