[gmx-users] Pull code vs. manual pull for umbrella sampling

Justin Lemkul jalemkul at vt.edu
Fri Jan 24 21:40:28 CET 2014

On 1/24/14, 2:34 PM, shivangi nangia wrote:
> Hello,
> I wish to perform umbrella sampling without using the pull code.
> I have varied starting configurations for protein-bilayer.
> Is there any advantage(s) of doing a manual pull versus the pull code or
> vice-versa?
> What is the reason to do it with pull force?

I think you need to provide more detail on what you are doing or are planning to 
do.  What is manual pulling?



Justin A. Lemkul, Ph.D.
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


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