On Tue, 21 Mar 2006 10:45:06 +0800
"Shulin Zhuang" <[EMAIL PROTECTED]> wrote:
By the way, for the optimal setup of molecluar
dynamics, there are some
difference for gromacs and gromos, such as in the mdp
file, GROMOS 96 force
field uses nstlist = 5 and rvdw = 1.4.
Can anyone give me a standard mdp file to do MD
simulation with gromacs
package using gromos96 force field?
gromacs has to be used is the exact same way as defined by
gromos. that is nstlist=5 and twin cut-off 8-14Ang. Don't
forget the Reactio-field for the Electrostatic.
XAvier
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