Chris,
At one point the forces were incorrrect in the dihedral restraints. I
*think* this was in 3.3 but one of the developers will probably know.
I have a note to this effect in one of my publications too but I
haven't the time to find it right now.
David
On Jan 26, 2008 10:43 PM, <[EMAIL PRO
Behnoush Zare wrote:
Dear Dr. Neale,
But I have got error in processing the top file.
Fatal error:
Ther were 1 error(s) processing your input
I have referred to the manual and not found any thing about dihedral_restraints
details. Would you please explain to me what I should do.
Thank you v
gromacs.org
Sent: Sunday, January 27, 2008 10:13:42 AM (GMT+0330) Asia/Tehran
Subject: [gmx-users] dihedral restraints in v3.3 different than v3.3.1 (or
broken)
This is just a notice for the archives.
I was recently working on a new cluster where only gromacs 3.3 is
installed. It took me a whi
This is just a notice for the archives.
I was recently working on a new cluster where only gromacs 3.3 is
installed. It took me a while to figure out that the [
dihedral_restraints ] section is either differently implemented or
broken in 3.3 compared to 3.3.1. Since the online list of revis
4 matches
Mail list logo
