[gmx-users] Problem with constant distance
samithzzz1 at gmail.com
Wed Dec 30 05:29:29 CET 2015
Thanks very much.
On Wed, Dec 30, 2015 at 7:58 AM, Justin Lemkul <jalemkul at vt.edu> wrote:
> On 12/29/15 3:27 AM, Samith Rathnayake wrote:
>> Dear All,
>> I just want to run a molecular dynamics simulation in gromacs with
>> maintain a constant distance (like constrain the distance) between two
>> molecules in a specific period of time.(want to maintain the constant
>> distance in the entire time period).
>> Is there any way to simulate this kind of system?
> Use the "constraint" method to keep the distance fixed, or "umbrella" to
> restrain it via a harmonic biasing potential.
> 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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