[gmx-users] Turning off electrostatic or Van der Waals interactions
omermar at gmail.com
Tue Feb 24 08:49:25 CET 2009
Why not create "dummy" topologies, without charges/vdw ?
Another option, which I am not sure of its effect, is, perhaps, to take
extremely small cutoffs.
> Lee Soin wrote:
>> I'm trying to rule out the effect of electrostatic or Van der Waals
>> interactions while performing a simulation. Do you mean that I should modify
>> the code and re-compile?
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