[gmx-users] temperature problem

[Lovika Moudgil]

Thanks Justin ....


Regrads
Lovika

On Mon, Jun 22, 2015 at 6:11 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> 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
>
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> 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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