[gmx-users] g_current

[Justin Lemkul]

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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