Re: [gmx-users] About Temperature coupling and Energy Transfer....

On 11/20/12 5:42 PM, jhon michael espinosa duran wrote: Hi all. I am trying to simulate a protein initially at 0K in water at 310K. I couple the water to 310K with tc=0.5 and the Protein is decouple tc=-1. The idea is analyze how is the transfer of energy from the water to the protein. The

[gmx-users] About Temperature coupling and Energy Transfer....

Hi all. I am trying to simulate a protein initially at 0K in water at 310K. I couple the water to 310K with tc=0.5 and the Protein is decouple tc=-1. The idea is analyze how is the transfer of energy from the water to the protein. The interesting thing is that after 200ps the temperature of the

Re: [gmx-users] about temperature coupling

Dear Justin and Mark： Thank you for your kind help！I think I figure out the problem Best Regards rtzhang -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search befo

Re: [gmx-users] about temperature coupling

On 21/11/2011 2:12 PM, RuiTing Zhang wrote: Dear gmxusers. I have problems about temperature coupling. Here is my parameter for temperature coupling. ; Berendsen temperature coupling is on in two groups Tcoupl = berendsen tc-grps = System tau_t = 0.1 r

Re: [gmx-users] about temperature coupling

RuiTing Zhang wrote: Dear gmxusers. I have problems about temperature coupling. Here is my parameter for temperature coupling. ; Berendsen temperature coupling is on in two groups Tcoupl = berendsen tc-grps = System tau_t = 0.1 ref_t =

[gmx-users] about temperature coupling

Dear gmxusers. I have problems about temperature coupling. Here is my parameter for temperature coupling. ; Berendsen temperature coupling is on in two groups Tcoupl = berendsen tc-grps = System tau_t = 0.1 ref_t = 298 I used "g_traj -f t