Re: [gmx-users] g_wham missing option

2013-02-07 Thread Jochen Hub
-users-boun...@gromacs.org [gmx-users-boun...@gromacs.org] on behalf of Justin Lemkul [jalem...@vt.edu] Sent: 02 February 2013 18:06 To: Discussion list for GROMACS users Subject: Re: [gmx-users] g_wham missing option On 2/2/13 12:58 PM, Nash, Anthony wrote: Hi All, I am using Gromacs 4.5.5 and

RE: [gmx-users] g_wham missing option

2013-02-03 Thread Nash, Anthony
: Discussion list for GROMACS users Subject: Re: [gmx-users] g_wham missing option On 2/2/13 12:58 PM, Nash, Anthony wrote: > Hi All, > > I am using Gromacs 4.5.5 and running free energy calculations. According to > the article "g_wham - A Free Weighted Histogram.." (J. C

Re: [gmx-users] g_wham missing option

2013-02-02 Thread Justin Lemkul
On 2/2/13 12:58 PM, Nash, Anthony wrote: Hi All, I am using Gromacs 4.5.5 and running free energy calculations. According to the article "g_wham - A Free Weighted Histogram.." (J. Chem. Theory. Comput. 2010, 6, 3713-3720), there is the option -bs-method. However, I am unable to find this

[gmx-users] g_wham missing option

2013-02-02 Thread Nash, Anthony
Hi All, I am using Gromacs 4.5.5 and running free energy calculations. According to the article "g_wham - A Free Weighted Histogram.." (J. Chem. Theory. Comput. 2010, 6, 3713-3720), there is the option -bs-method. However, I am unable to find this option when running g_wham. I want to use b