Re: [gmx-users] .mdp format

Chih-Ying Lin wrote: Hi An example of the .mdp file format is as follows. tau_t= 0.1 0.1 ref_t= 300 300 why are the tau_t and ref_t owning two values separately? There is a very clear, very concise explanation of all .mdp options here: http://ww

Re: [gmx-users] .mdp format

On Sun, 6 Jul 2008 00:58:39 -0700 "Chih-Ying Lin" <[EMAIL PROTECTED]> wrote: Hi An example of the .mdp file format is as follows. tau_t= 0.1 0.1 ref_t= 300 300 why are the tau_t and ref_t owning two values separately? There should be two groups defined

[gmx-users] .mdp format

Hi An example of the .mdp file format is as follows. tau_t= 0.1 0.1 ref_t= 300 300 why are the tau_t and ref_t owning two values separately? thanks Lin ___ gmx-users mailing listgmx-users@gromacs.org http:/

[gmx-users] .mdp format

Hi if I am in my working directory, and give the command in my .mdp file include =-I/my_working_directory I will get the following error Program grompp, VERSION 3.3.3 Source code file: grompp.c, line: 469 Fatal error: number of coordinates in coordinate file (xxx.gro, 24)