Re: [gmx-users] g_wham gets stuck

Amir Marcovitz wrote: Thank you Jochem, In your last reply, did you mean that i can perform the WHAM on Various histograms that were collected with different force constants? i mean , will it know to do the correction for the biasing potential Yes, WHAM does not require identical force consta

Re: [gmx-users] g_wham gets stuck

Thank you Jochem, In your last reply, did you mean that i can perform the WHAM on Various histograms that were collected with different force constants? i mean , will it know to do the correction for the biasing potential amir On Fri, Apr 30, 2010 at 4:00 PM, Jochen Hub wrote: > Justin A. Lemkul

Re: [gmx-users] g_wham gets stuck

Justin A. Lemkul wrote: Amir Marcovitz wrote: Thanks for your answers, I tried to struggle a bit more with that today. my input dat files listings (i.e., tpr-files.dat, pullf-files.dat and pullx-files.dat) are fine and consistent with other in terms of file numbering. i use gromacs 4.0.5 o

Re: [gmx-users] g_wham gets stuck

Amir Marcovitz wrote: Thanks for your answers, I tried to struggle a bit more with that today. my input dat files listings (i.e., tpr-files.dat, pullf-files.dat and pullx-files.dat) are fine and consistent with other in terms of file numbering. i use gromacs 4.0.5 on Linux with gcc 4.1.2

Re: [gmx-users] g_wham gets stuck

Thanks for your answers, I tried to struggle a bit more with that today. my input dat files listings (i.e., tpr-files.dat, pullf-files.dat and pullx-files.dat) are fine and consistent with other in terms of file numbering. i use gromacs 4.0.5 on Linux with gcc 4.1.2 compiler. i run: *g_wham -it

Re: [gmx-users] g_wham gets stuck

Amir Marcovitz wrote: Hi All, I have some problems with g_wham, and i already gone through all the postings and didn't find a hint.. basically, I'm trying to calculate PMF between two charged plates. I've performed a pulling simulation between the 2 plates according to Justin's UMBRELLA tut

Re: [gmx-users] g_wham gets stuck

Amir Marcovitz wrote: Hi All, I have some problems with g_wham, and i already gone through all the postings and didn't find a hint.. For problems like these (which are hard to diagnose!), your Gromacs version, compilers used, OS, etc. would be useful. basically, I'm trying to calculate

[gmx-users] g_wham gets stuck

Hi All, I have some problems with g_wham, and i already gone through all the postings and didn't find a hint.. basically, I'm trying to calculate PMF between two charged plates. I've performed a pulling simulation between the 2 plates according to Justin's UMBRELLA tutorial in the website (all st