On 17/03/2010 9:20 PM, Cristiano De Michele wrote:
Dear GROMACS users,
I created a custom topology file to
define a molecule composed of 5 sites.
Two sites are real massive sites (but for them
C6=C12=0 and their charge is 0, hence they do not interact
with sites of same type on other molecules),
Dear GROMACS users,
I created a custom topology file to
define a molecule composed of 5 sites.
Two sites are real massive sites (but for them
C6=C12=0 and their charge is 0, hence they do not interact
with sites of same type on other molecules),
while remaining three sites are virtual sites.
Two o
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