[gmx-users] Simulation for Metalloprotein

[Joe Jordan]

The standard force fields (charmm, amber, etc) all have calcium, as well as
many other metals. Please actually try running pdb2gmx before asking the
list if it will work.

On Tue, Feb 27, 2018 at 5:12 AM, Sankaran SV . <119013033 at sastra.ac.in>
wrote:

> Hi users,
>
> Whether it is possible to run the simulation for protein with metal
> (calcium) ?
> If so, what are the force fields that can be used ?
> How those force fields must be altered in order to run the simulation.
>
>
> --
> Sankaran.s.v
> bbin
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-- 
Joe Jordan