[gmx-users] reg: simulations in presence of electric fields
rams.crux at gmail.com
Sat Jan 24 20:24:37 CET 2009
In the gmx manual it is mentioned that we can carry out the md simulations
under electic fields (static I suppose). In the description under the title
Electric Fields, it was described that number of cosines implemented is 1.
What exactly it mean ?? The frequency is also 0. Does it mean that the only
term implemented is the cos(theta) term ?
The way I understand is the following:
When we apply the static electric field, the molecular dipolemoment
interacts with the applied electric filed strength. Lets say "mu" and "E"
respectively. Now the interaction term is "mu. E cos(theta)". From the
description what I understand is that "theta" is always zero here and no
other higher order interactions such as polarizability etc are
implemented. Please correct me if I am wrong.
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