[gmx-users] Using gmx 5.0.4 made traj to analyze in gromac 4.6 version
jalemkul at vt.edu
Thu Apr 9 13:45:47 CEST 2015
On 4/9/15 7:34 AM, RJ wrote:
> Dear gmx users,
> I used gmx 5.0.4 for MD runs, and for the purpose of MMPBSA analysis ( only compatible with 4.6 version) i used those files in gromacs 4.6 but end up with errors:
> By looking at the previous similar issues mail, i tried to make .tpr in gromacs 4.6 version but i couldnt able to pass through and end up with following error
> Fatal error:
> Attempting to read a checkpoint file of version 16 with code of version 15
You shouldn't need any checkpoint file for analyzing a trajectory.
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
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