[gmx-users] rvdw

Isabella Daidone i.daidone at caspur.it
Wed Jun 21 13:50:54 CEST 2006

Sorry, but I'm a little bit confused about what rvdw to use for 
simulations of proteins in solution with gromos96 force field while using pme for 
coulomb interactions.
In the gromacs 3.3 manual I still read (with pme):
rcoulomb=rlist=rvdw=0.9 nm

Then, I found in the discussion list (+ the paper J Comp Chem, 
1998, 19:535) someone suggesting rvdw=1.4 nm.

Could you please help me? what's your suggestion?
Is it nowadays anyway accepted to 
use rcoulomb=rlist=rvdw=0.9 nm?
And is there any difference between the standard G43a1 version or the 
newest (G53a...)?

Thank you very much.


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