[gmx-users] g_current

[Nilesh Dhumal]

I checked with gmx_check, its says velocities  found.

Nilesh

>
>
> On 4/15/14, 11:50 AM, Nilesh Dhumal wrote:
>> Hello,
>>
>>
>> I am trying to calculate the correlation of the rotational and
>> translational dipole moment of the system using g_current.
>>
>> There are 864  water molecules in the system.
>>
>> I run the following command, but its not writing the mc.xvg.
>> g_current -f water.trr -s water.tpr -mc
>>
>> Could you tell whats going wrong?
>>
>
> The only reason mc.xvg wouldn't be produced is if the input trajectory did
> not
> have velocities in it.  Can you confirm with gmxcheck that your .trr has
> velocities?
>
> -Justin
>
> --
> ==================================================
>
> Justin A. Lemkul, Ph.D.
> Ruth L. Kirschstein NRSA Postdoctoral Fellow
>
> Department of Pharmaceutical Sciences
> School of Pharmacy
> Health Sciences Facility II, Room 601
> 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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