[gmx-users] Building Topology of a Drug (using the ff of your choice)

Arneh Babakhani ababakha at mccammon.ucsd.edu
Fri Feb 16 02:48:34 CET 2007


Hi , I'd like to build a topology of a Drug.  I'm aware of the PRODRG 
website. 

But if my understanding is correct, on this website, you can only build 
using one forcefield (GROMOS87). 

How does one build a topology using a different force field (say for 
instance, oplsaa)?  Is there a simple way to do it,

Thanks,

Arneh





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