Re: using an Amber topology with OPC water model in NAMD

From: Victor Kwan (vkwan8_at_uwo.ca)
Date: Tue Mar 31 2020 - 15:34:57 CDT

rigidBonds water is required for waterModel tip4p, which means your OPC
water will be rigid.

On Tue, Mar 31, 2020 at 4:03 PM Vlad Cojocaru <
vlad.cojocaru_at_mpi-muenster.mpg.de> wrote:

> Dear all,
>
> I would like to run some simulations using an Amber topology with the 4
> point OPC water model in NAMD ...
> The "waterModel" keyword does not allow the "OPC" value, so I was
> wondering if it is safe to use TIP4P ... The parameters should be read
> from the topology file anyhow .. Right ?
>
> Best wishes
> Vlad
>
> --
> Vlad Cojocaru, PD (Habil.), Ph.D.
> -----------------------------------------------
> Project Group Leader
> Department of Cell and Developmental Biology
> Max Planck Institute for Molecular Biomedicine
> Röntgenstrasse 20, 48149 Münster, Germany
> -----------------------------------------------
> Tel: +49-251-70365-324; Fax: +49-251-70365-399
> Email: vlad.cojocaru[at]mpi-muenster.mpg.de
> http://www.mpi-muenster.mpg.de/43241/cojocaru
>
>

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