[gmx-users] Regarding Force field

Sathish Kumar sathishk238 at gmail.com
Wed Oct 5 07:42:44 CEST 2016


Dear gromacs users

                                  I am doing simulations of nanomaterials
with proteins. There is no parameters for nanomaterials in amber03 force
filed. In literature, I have seen that the parameters(lennard jones, bond
and angle constants) taken from drieding force filed and they added to
charm force filed. Then they used the charm force filed for total system.

Similar way I also added those parameters to amber03 force filed and
performed the simulations.

Is there anything wrong doing like this?

Thanks
Sathish


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