[gmx-users] GROMACS and CNT/graphene (probably for the 1000th time)

[Alex]

You guys have thought of everything, haven't you... :) Thanks.


JL> On 3/23/15 9:09 PM, Alex wrote:
>> Great, thanks.
>> One other question, just sort of jumping way ahead. Let's say I had a
>> denaturated protein chain I wanted to drag in a simulation of
>> translocation. Is there anything in Gromacs for that, aside from fake
>> charges and external electric fields, or messing with the code itself?
>>

JL> Use the pull code.

JL> -Justin

JL> -- 
JL> ==================================================

JL> Justin A. Lemkul, Ph.D.
JL> Ruth L. Kirschstein NRSA Postdoctoral Fellow

JL> Department of Pharmaceutical Sciences
JL> School of Pharmacy
JL> Health Sciences Facility II, Room 629
JL> University of Maryland, Baltimore
JL> 20 Penn St.
JL> Baltimore, MD 21201

JL> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
JL> http://mackerell.umaryland.edu/~jalemkul

JL> ==================================================