Re: TIP4P topology

From: David Hardy (dhardy_at_ks.uiuc.edu)
Date: Tue Nov 03 2009 - 15:32:33 CST

I believe that TIP4P is in fact supported in the recent NAMD2.7b1,
courtesy of Peter Freddolino. However, I don't think that psfgen can
yet generate a correct PSF for TIP4P. Perhaps Peter will be kind
enough to comment on this?

-Dave

On Nov 3, 2009, at 3:11 PM, Robert Brunner wrote:

> A google search returns several comments about TIP4P and NAMD in
> this mailing list.
>
> The main conclusion seems to be that TIP4P uses a massless dummy
> particle, and NAMD does not support massless particles.
>
> Robert
>
> On Nov 3, 2009, at 2:24 PM, Luca Bellucci wrote:
>
>> Dear all,
>> I would like perform a molecular dynamic with TIP4P water model
>> (NAMD2.7b1),
>> I do not know how to make the topology becouse it isn't documented.
>> Can I have an example of TIP4P topology that I can use with psfgen?
>> Are there other possibilities?
>> Regards,
>> Luca

-- 
David J. Hardy, Ph.D.
Theoretical and Computational Biophysics
Beckman Institute, University of Illinois
dhardy_at_ks.uiuc.edu
http://www.ks.uiuc.edu/~dhardy/

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