[gmx-users] tpo is removed....

Justin Lemkul jalemkul at vt.edu
Mon Mar 14 12:25:15 CET 2016

On 3/14/16 6:37 AM, Mehreen Jan wrote:
> respected sir!
> sorry for disturbing
> thank you for provided guide line
> i used following perameters...
> gromacs 5.0.7
> force field 43A1p (which is downloaded from given gromacs web)
> problem:
> after 1ns i stop the simulation ang generate PDB of my protein. i found that my TPO is removed  from PDB and in SEP no change occure i am surprised what happens with TPO??/
> kindly provide me guide line what happen with TPO

Atoms and residues cannot be deleted.



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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