From: JC Gumbart (gumbart_at_ks.uiuc.edu)
Date: Tue Jun 26 2007 - 15:37:01 CDT
Not currently without modifying the NAMD source code; it's an idea
I'm interested in as well.
I have to ask though: what would be the point of that specific
setup? Isn't that the same as simulating A and B each separately
since they don't see each other?
On Jun 25, 2007, at 11:52 AM, milton sonoda wrote:
> Dear NAMD users
> I'm planning to make MD simulations of binary solutions.
> Let's say the solutions are composed by species A and B.
> Is it possible to tune or turn off A-B interspecies intermolecular
> interactions leaving the intra species intermolecular interaction
> A-A and B-B intact?
> Moreover, is it possible to do that separately for van der Waals
> or electrostatic interactions?
> Thx in advance
> Milton Taidi Sonoda
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