[gmx-users] temperature problem

[Justin Lemkul]

On 6/22/15 7:55 AM, Lovika Moudgil wrote:
> Hi everyone ....
>
> Can anybody tell from where I will get this tip3p.gro file .......I have
> tip4p.gro and tip5p.gro ...but not tip3p.gro !!!!
> Error is ::
>
> *Library file tip3p.gro not found in current dir nor in default
> directories.(You can set the directories to search with the GMXLIB path
> variable)*
>
> I am not being able to find this gro file .....
>

Use spc216.gro.  Both are 3-point water models; there's no reason for redundancy.

-Justin

-- 
==================================================

Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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