[gmx-users] calculating Dielectric constant
Life Sciences Inc
contact.lifesciences.inc at gmail.com
Mon May 30 14:31:48 CEST 2016
Dear ALL Gromacs users
I am trying to calculate Dielectric constant using the option in my
simulation file as epsilon-surface = 70 . whenever I try to run the
simulaton I get this warning message
"Since molecules/charge groups are broken using the Verlet scheme, you can
not use a dipole correction to the PME electrostatics."
I am ignoring this warning by using maxwarn but after few ns simulation is
crashing, kindly someone tell me the solution to this problem?
Thanks in advance
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