[gmx-users] Question on force field

[YanhuaOuyang]

Dear Justin, <br/> Thank you very much. I get it now.<br/><br/>Best regards,<br/>Ouyang
At 2017-07-31 10:46:10, "Justin Lemkul" <jalemkul at vt.edu> wrote:
>
>
>On 7/30/17 8:58 PM, YanhuaOuyang wrote:
>> Hi,
>>   I have run a protein MD simulation and choose a force field "8: CHARMM27 all-atom force field (CHARM22 plus CMAP for proteins) ". I wonder that whether the CHARMM27 all-atom force field here is equal to the CHARMM22/CMAP
>> 
>
>Well, not "equal" but it means that the "CHARMM27" files include C22/CMAP for 
>proteins.  There is no such thing as a CHARMM27 protein force field.  The C27 
>nucleic acid and lipid parameters came out at the same time as the C22/CMAP 
>protein force field, and got somewhat unfortunately lumped together in nomenclature.
>
>-Justin
>
>-- 
>==================================================
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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 629
>University of Maryland, Baltimore
>20 Penn St.
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>
>jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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