Re: [gmx-users] Problem installin gmx

2010-02-13 Thread Chandan Choudhury
Thanks Mark. What I did I copied gmx from one of the servers, in which it was installed paralley. Will have a look at your suggestions, if I get into trouble. Chandan -- Chandan kumar Choudhury NCL, Pune INDIA On Sat, Feb 13, 2010 at 10:31 AM, Mark Abraham mark.abra...@anu.edu.auwrote: On

Re: [gmx-users] Problems wtih g_wham

2010-02-13 Thread Jennifer Casey
Hello again, When I was working through your tutorial, I noticed the following statement under pull = umbrella: IMPORTANT: This procedure is not umbrella sampling. I used a harmonic potential.For the purposes of generating initial configurations for umbrella sampling, you can set pull =

Re: [gmx-users] Problems wtih g_wham

2010-02-13 Thread Justin A. Lemkul
Jennifer Casey wrote: Hello again, When I was working through your tutorial, I noticed the following statement under pull = umbrella: IMPORTANT: This procedure is not umbrella sampling. I used a harmonic potential.For the purposes of generating initial configurations for umbrella