HiAttached is part of the gro file which gave the LINCS error on atoms. Thisoutput is the gro file for the initial mdrun, after which final grompp andfinal mdrun was done, which gives the error I described in the message
below.Gaurav Gaurav Chopra wrote:> > Hi> >> > I am getting the following error
On Mon, 17 Apr 2006 00:07:29 -0700
"Gaurav Chopra" <[EMAIL PROTECTED]> wrote:
Hi
I am getting the following error with mdrun. I have done
a few things but
the system complains of 1-4 interactions and gives LINCS
warning if the
constraints are not turned off in the mdp file. I also
changed th
Gaurav Chopra wrote:
Hi
I am getting the following error with mdrun. I have done a few things
but the system complains of 1-4 interactions and gives LINCS warning if
the constraints are not turned off in the mdp file. I also changed the
fudgeQQ = 1.0 (instead of 0.5) in ffoplsaa.itp and then
Hi
I am getting the following error with mdrun. I have done a few things
but the system complains of 1-4 interactions and gives LINCS warning if
the constraints are not turned off
in the mdp file. I also changed the fudgeQQ = 1.0 (instead of 0.5) in
ffoplsaa.itp and then did mdrun but I get 1-4 in
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