On 11/09/2012 1:33 PM, Nur Syafiqah Abdul Ghani wrote:
Dear all users,
I had this problem and i dont know how to solve it.I need to create
other co-solvent which does not have in pdb bank.
I to optimize it by using GAMESS software and do RESP for charge
calculation.When i do all this part there some error happened and
I manage to solve that part. Unfortunately there are no coordinate
that create. I have been told to do it by using amber for charge
calculation before can use it in gromacs.
Any suggestion to produce this cosolvent with pdb format?
https://www.google.com.au/search?q=gromacs+mixed+solvent ;-)
Mark
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