RE: [gmx-users] Pull code, Velocity distribution

2012-11-17 Thread Samadashvili Nino
-boun...@gromacs.org] on behalf of Justin Lemkul [jalem...@vt.edu] Sent: Friday, November 02, 2012 5:04 PM To: Discussion list for GROMACS users Subject: Re: [gmx-users] Pull code, Velocity distribution On 11/2/12 10:52 AM, Samadashvili Nino wrote: Hello, I have been using the pull code

RE: [gmx-users] Pull code, Velocity distribution

2012-11-05 Thread Samadashvili Nino
[jalem...@vt.edu] Sent: Friday, November 02, 2012 5:04 PM To: Discussion list for GROMACS users Subject: Re: [gmx-users] Pull code, Velocity distribution On 11/2/12 10:52 AM, Samadashvili Nino wrote: Hello, I have been using the pull code for friction calculations. I am not doing umbrella

Re: [gmx-users] Pull code, Velocity distribution

2012-11-02 Thread Justin Lemkul
On 11/2/12 10:52 AM, Samadashvili Nino wrote: Hello, I have been using the pull code for friction calculations. I am not doing umbrella sampling but just pulling one slab of crystal on top of another with the constant velocity. I would like to know how Gromacs is calculating the