[gmx-users] Hello Regarding Lincs error
Ujwala Patil
ujwalanpatil at gmail.com
Thu Sep 18 10:58:50 CEST 2014
Hello I am doing simulation of dioxane+ water system
during energy minimization i got error
Too many LINCS warnings (1337)
If you know what you are doing you can adjust the lincs warning threshold
in your mdp file
or set the environment variable GMX_MAXCONSTRWARN to -1,
but normally it is better to fix the problem
my em.mdp file is
integrator = steep ;
emtol = 500.0
emstep = 0.01
nsteps = 500
nstlist = 1.4
ns_type = grid
rlist = 1.0
coulombtype = PME
rcoulomb = 1.0
rvdw = 1.4
constraints = none
pbc = xyz
i have seen some similar type of error
but not able to fix
please help me to solve the problem
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