Re: simulating TIP5P water

From: Peter Freddolino (petefred_at_umich.edu)
Date: Sat Oct 10 2015 - 21:33:50 CDT

Did you try grepping the source code for r_ohc?

> On Oct 9, 2015, at 6:29 AM, Monika Madhavi <monikamadhavi_at_gmail.com> wrote:
>
> Dear all,
>
> I am trying to simulate TIP5P water with namd. I am trying to hardcode TIP5P as TIP4P is done in namd. However in Homepatch.C file, the parameter r_ohc is defined as the altitude of hydrogen center of mass from oxygen. Can someone please tell me on which file this calculation is done?
>
> Best regards,
> Monika
>
> --
> W.A.Monika Madhavi
> Lecturer (Probation),
> Department of Physics,
> University of Colombo.

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