[gmx-users] parameters for output control

2012-08-21 Thread mohammad agha
; Discussion list for GROMACS users gmx-users@gromacs.org Cc: Sent: Monday, August 20, 2012 10:45 AM Subject: Re: [gmx-users] parameters for output control On 8/20/12 1:15 PM, mohammad agha wrote: Dear Gromacs Users, I have one problem about the way of computation in the Gromacs with frame

[gmx-users] parameters for output control

2012-08-20 Thread mohammad agha
Dear Gromacs Users, I have one problem about the way of computation in the Gromacs with frame and time. (I work with MARTINI CG) I have one md.mdp file that the parameters of output control in it is as follows: nsteps = 3000 dt = 0.030 ; Output control nstxout = 2000 nstvout = 2000

Re: [gmx-users] parameters for output control

2012-08-20 Thread Justin Lemkul
On 8/20/12 1:15 PM, mohammad agha wrote: Dear Gromacs Users, I have one problem about the way of computation in the Gromacs with frame and time. (I work with MARTINI CG) I have one md.mdp file that the parameters of output control in it is as follows: nsteps = 3000 dt = 0.030 ; Output

[gmx-users] parameters for output control

2012-08-20 Thread mohammad agha
@gromacs.org Cc: Sent: Monday, August 20, 2012 10:45 AM Subject: Re: [gmx-users] parameters for output control On 8/20/12 1:15 PM, mohammad agha wrote: Dear Gromacs Users, I have one problem about the way of computation in the Gromacs with frame and time. (I work with MARTINI CG) I have one md.mdp

Re: [gmx-users] parameters for output control

2012-08-20 Thread Mark Abraham
for GROMACS users gmx-users@gromacs.org Cc: Sent: Monday, August 20, 2012 10:45 AM Subject: Re: [gmx-users] parameters for output control On 8/20/12 1:15 PM, mohammad agha wrote: Dear Gromacs Users, I have one problem about the way of computation in the Gromacs with frame and time. (I work