Re: [gmx-users] g_wham and entropic subtraction

2011-11-11 Thread David van der Spoel
On 2011-11-11 21:29, Sanku M wrote: Hi, I just wanted to check whether g_wham ( in gromacs4.5.4) already subtractthe entropic contribution ( -2KTlog(r) term ) term when unbiasing the histogram obtained from umbrella sampling using distance in 3D as a reaction coordinate. Thanks Sanku If it does

[gmx-users] g_wham and entropic subtraction

2011-11-11 Thread Sanku M
Hi,   I just wanted to check whether g_wham ( in gromacs4.5.4) already subtract the entropic contribution ( -2KTlog(r) term ) term when unbiasing the histogram obtained from umbrella sampling using distance in 3D as a reaction coordinate. Thanks Sanku-- gmx-users mailing listgmx-users@gromac