[gmx-users] oxygen itp

Justin A. Lemkul jalemkul at vt.edu
Fri Apr 24 13:52:38 CEST 2009

Sunil Thapa wrote:
> Respectable Experts
> I am very grateful to Justin.
> Yes I have defined the atom OB with its mass in the ffgmx.atp file. 
> I have also defined the residue OMOL in ffgmx.rtp file that I am using.

Any particular reason for using ffgmx?  It is deprecated; the newer Gromos96 
variants are more reliable for modern simulations.


> Thank you
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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