Re: Topology for drugs to do MD after docking

From: Evandro Semighini (
Date: Wed Oct 21 2015 - 11:48:21 CDT

Hi Nikhil,

You can get them at paramchem ( or chamm-gui (, but, if the penalties for your molecules are
high, you will need to use the fftk (vmd plugin) to correct them.

I was not capable to do it, so, I moved to AMBER Force Fields, following a
tip from Brian Bennion gve me here, at this list.

Good luck !

2015-10-21 14:40 GMT-02:00 Nikhil Maroli <>:

> Dear users,
> i want to do MD of protein and drugs together after docking,i done the
> docking part now when i try to create psf file there is topology problem so
> anyone can tell me how to solve this problem-how to get the topology
> parameter for drugs ?
> Thanks in advance
> --
> Ragards,
> Nikhil Maroli

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