[gmx-users] Please help

Anik Sen aniksen at csmcri.org
Tue Oct 2 11:20:45 CEST 2012

Hi everybody,
                    I am still in confusion in which thermostat my be good for NPT MD calcualtions with protein and DNA. V-rescale, berenseden, Nose-hoover; parinello-rahman thermostats. Is the temperature and pressure coupling will be similar or different.

Thanking in advance,
With reagards Anik

Anik Sen
CSIR-Central Salt & Marine Chemicals Research Institute,
Gijubhai Badheka Marg.
Bhavnagar, Gujarat 364002

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