[gmx-users] Re: Re: Is vacuum simulation NVT?

James Starlight jmsstarlight at gmail.com
Sun Dec 16 07:18:55 CET 2012

Dear Dr. Shirts!

Could you tell me is there any difference of different Tau_t ussage (
inverse friction in case of Stochastic dynamics) for simulation of
water-soluble as well as membrane-proteins ? In the first case I'm
using tau_t 2ps that is lower than internal water friction. In the
second case one part of protein could be in the membrane ( e.g
helixes) but other ( e.g loops) in water media. Both of that solvents
have different characteristic viscousity. So what Tau_t should be used
in stochastic dynamics for such biphastic systems?


2012/12/12 Jong Wha Lee <jongwha12 at postech.ac.kr>:
> Thank you very much Justin, and thank you very much Michael. Your replies
> were of a great help.
> Jong Wha
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