[gmx-users] intramolecular /intermolecular forces

Sven Huttenhouse mdsimulation at hotmail.com
Mon Nov 28 21:57:49 CET 2005


Hello all.
In my simulation I'm only interested in the intermolecular forces and not 
the intramolecular force. I'm trying to simulate the crystallization of 
Glycine and I'm interested in getting clusters out of my solution. I'm only 
interested in how the molecule will interact with each other (non bonded 
interaction).
How can I elliminate the intramolecular interaction?
I tried to set the (nrexcl=0) but the system didn't work. did I do the right 
thing?

Kind regards
Sven

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