[gmx-users] what is the mean sar, st, pi, gar and hct of gbsa.itp?

2013-12-10 Thread C.H. Kim 
Dear All.

Hi. I'm want calculation of dimer protein.

My proteins have manganese. But don't have gbsa.itp of manganese.

I'm insert Mn data, but I don't know 'sar, st, pi ...'

What is the values mean?

Thank you.

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Re: [gmx-users] what is the mean sar, st, pi, gar and hct of gbsa.itp?

2013-12-10 Thread Justin Lemkul 
On Tue, Dec 10, 2013 at 8:11 AM, C.H. Kim poc...@icloud.com wrote:

 Dear All.

 Hi. I'm want calculation of dimer protein.

 My proteins have manganese. But don't have gbsa.itp of manganese.

 I'm insert Mn data, but I don't know 'sar, st, pi ...'

 What is the values mean?


Please read manual section 5.3.5 and associated references.

-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
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Baltimore, MD 21201

jalem...@outerbanks.umaryland.edu | (410) 706-7441


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