Re: [gmx-users] the Temperature in the mdp.file

2008-11-11 Thread David Chan
Discussion list for GROMACS users Subject: Re: [gmx-users] the Temperature in the mdp.file Is it a real diassociation or an illusion? Visualize with PBC in mind. To put them back, use trjconv to center one chain of the DNA and output the two chains. On 11/11/08, He, Yang <[EMAIL PROTECTED]> wro

RE: [gmx-users] the Temperature in the mdp.file

2008-11-11 Thread He, Yang
further suggestions ? I really appreciate your help. Yang From: [EMAIL PROTECTED] [EMAIL PROTECTED] On Behalf Of Yang Ye [EMAIL PROTECTED] Sent: Monday, November 10, 2008 6:35 PM To: Discussion list for GROMACS users Subject: Re: [gmx-users] the Temperature in

Re: [gmx-users] the Temperature in the mdp.file

2008-11-10 Thread Yang Ye
Is it a real diassociation or an illusion? Visualize with PBC in mind. To put them back, use trjconv to center one chain of the DNA and output the two chains. On 11/11/08, He, Yang <[EMAIL PROTECTED]> wrote: Hi all users. > > When I change the Temperature in the madp file to try to get different