答复: [gmx-users] topology file of ligand

[Justin Lemkul]

On 10/15/13 12:25 PM, sunyeping wrote:
> Thank you Dr. Lemkul,
>
> Could you recommand some primary literatures which are most usefule for me to understand the force field?
>

The ones cited in the Gromacs manual are a good start.  One should never attempt 
to use a force field without scrutinizing its history, assumptions, and 
parametrization methods...

-Justin

-- 
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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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