[gmx-users] protein-cnt

[Justin Lemkul]

On 2/22/14, 5:44 AM, Dr. Vitaly Chaban wrote:
> g_energy
>
>

...and a three rounds of g_sas to get protein, CNT, then protein+CNT surface 
area to calculate the interfacial area.

-Justin

>
> On Sat, Feb 22, 2014 at 8:06 AM, maryam haji <maryam6890 at gmail.com> wrote:
>> I am doing simulation of the protein-cnt complex.How can I compute the
>> protein-SWCNT interface area and interaction energy and heat capacity for
>> cnt?
>>
>> Thank you
>> --
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-- 
==================================================

Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA 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
http://mackerell.umaryland.edu/~jalemkul

==================================================