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

Alex nedomacho at gmail.com
Wed Mar 25 01:29:24 CET 2015


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

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





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