[gmx-users] extending SMD simulation

[Justin Lemkul]

On 6/5/15 10:23 PM, Ming Tang wrote:
> Dear gromacs experts,
>
> I want to extend my SMD simulation. After using gmx convert-tpr -s previous.tpr -extend 10000 -o next.tpr, I found traj.trr and traj_comp.xtc were updated to the previous ones, but both the pullx.xvg and pullf.xvg were not modified. How can I get those two files updated in the extend simulation?
>

They're just text.  Concatenate them later.

-Justin

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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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