[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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