[gmx-users] Can I set the dielectric constant for polymer and water separately
lizifeng7 at gmail.com
Fri Jun 29 01:06:23 CEST 2012
I am simulating polymer in water and get water density lower than
experimental one at 363K, 1bar. The water model I use is spce.Gromacs
Can it be caused by setting dielectric constant epsilon_r = 3.6, which
is the value of polymer and much smaller than that of water?
If so, can I set the epsilon for water and polymer separately?
Thanks very much in advance.
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