[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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