Re: [gmx-users] about T-Coupling groups

2007-04-23 Thread Yang Ye
SOL > Cl" > I don't know why the 149 atoms are not included. > How I check them? > Thanks in advance! > > > 在您的来信中曾经提到: > >> From: Mark Abraham <[EMAIL PROTECTED]> >> Reply-To: Discussion list for GROMACS users >> To: Discussion

Re: [gmx-users] about T-Coupling groups

2007-04-23 Thread Rui Li
MACS users >To: Discussion list for GROMACS users >Subject: Re: [gmx-users] about T-Coupling groups >Date:Mon, 23 Apr 2007 22:30:26 +1000 > >Rui Li wrote: > > Dear all, > > I want run a Position-restrained dynamics simulation for my system > > and I

Re: [gmx-users] about T-Coupling groups

2007-04-23 Thread Mark Abraham
Rui Li wrote: Dear all, I want run a Position-restrained dynamics simulation for my system and I write a pr.mdp file. below is part of the mdp file: Berendsen temperature coupling is on in three groups Tcoupl = berendsen tau_t = 0.1 0.1 0.1 tc-grps

Re: [gmx-users] about T-Coupling groups

2007-04-23 Thread David van der Spoel
Rui Li wrote: Dear all, I want run a Position-restrained dynamics simulation for my system and I write a pr.mdp file. below is part of the mdp file: Berendsen temperature coupling is on in three groups Tcoupl = berendsen tau_t = 0.1 0.1 0.1 tc-grps

[gmx-users] about T-Coupling groups

2007-04-23 Thread Rui Li
Dear all, I want run a Position-restrained dynamics simulation for my system and I write a pr.mdp file. below is part of the mdp file: Berendsen temperature coupling is on in three groups Tcoupl = berendsen tau_t = 0.1 0.1 0.1 tc-grps = Protein