HELP WITH TINKER
Hello,
I am trying to implement TINKER to run MD on biomolecules. I am unable
to do a minimization of a tripeptide in solution. the energy blows up.
is there an example file where i could look into? [it is a tripeptide
immersed in a 15A cube of tip3p waters]. the minimization in vaccum runs
fine. minimization/md of water alone runs fine too.
any help is greatly appreciated
gautham
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Monsanto,R&D center, Bangalore, INDIA
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