[gmx-users] temperature problem

Lovika Moudgil lovikamoudgil at gmail.com
Mon Jun 22 13:55:16 CEST 2015


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 .....


Thanks and Regards
Lovika


On Fri, Jun 19, 2015 at 7:45 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 6/19/15 10:13 AM, Lovika Moudgil wrote:
>
>> Hi ..
>>
>> Can anybody tell me about *nrdf* (*radial distribution functions*) value
>> that is in log file ..... How it effect our system !! Any link that I can
>> follow to understand its role more clearly !!!
>>
>>
>>
> nrdf in this context is the number of degrees of freedom, nothing to do
> with radial distribution functions.
>
>
> -Justin
>
> --
> ==================================================
>
> Justin A. Lemkul, Ph.D.
> Ruth L. Kirschstein NRSA Postdoctoral Fellow
>
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>
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