Re: [gmx-users] REMD--how to determine the temperature distribution

2016-04-26 Thread YanhuaOuyang
s.org_gmx-users-boun...@maillist.sys.kth.se < >> gromacs.org_gmx-users-boun...@maillist.sys.kth.se> on behalf of >> YanhuaOuyang <15901283...@163.com> >>> Sent: 25 April 2016 10:36 >>> To: gmx-us...@gromacs.org >>> Subject: [gmx-users] REMD--how

Re: [gmx-users] REMD--how to determine the temperature distribution

2016-04-26 Thread Mark Abraham
sers-boun...@maillist.sys.kth.se < > gromacs.org_gmx-users-boun...@maillist.sys.kth.se> on behalf of > YanhuaOuyang <15901283...@163.com> > > Sent: 25 April 2016 10:36 > > To: gmx-us...@gromacs.org > > Subject: [gmx-users] REMD--how to determine the temperature distr

Re: [gmx-users] REMD--how to determine the temperature distribution

2016-04-26 Thread YanhuaOuyang
com> > Sent: 25 April 2016 10:36 > To: gmx-us...@gromacs.org > Subject: [gmx-users] REMD--how to determine the temperature distribution > > Dear all, >I am going to run a REMD of a protein(explicit solvent) in NVT > ensemble with gromacs, but I have trouble in determi

Re: [gmx-users] REMD--how to determine the temperature distribution

2016-04-25 Thread Christopher Neale
gmx-users-boun...@maillist.sys.kth.se> on behalf of YanhuaOuyang <15901283...@163.com> Sent: 25 April 2016 10:36 To: gmx-us...@gromacs.org Subject: [gmx-users] REMD--how to determine the temperature distribution Dear all, I am going to run a REMD of a protein(explicit solvent) in

[gmx-users] REMD--how to determine the temperature distribution

2016-04-25 Thread YanhuaOuyang
Dear all, I am going to run a REMD of a protein(explicit solvent) in NVT ensemble with gromacs, but I have trouble in determining a optimum temperature distribution.Can anybody know the ways to determine the temperature? -- Gromacs Users mailing list * Please search the archive at