[gmx-users] About the possibility of calculating dipole moment vectors of individual waters around polar solutes

Sajeewa Pemasinghe sajeewasp at gmail.com
Sun Aug 27 14:02:44 CEST 2017

Hi everyone,

I want to visualize how the dipole moment vectors of waters are aligned
around certain polar solutes. Can I select the waters to an index file and
give that to gmx dipoles to calculate dipole moment components of waters
and thus calculate the individual dipole moment vector of each water and
achieve this purpose? Your suggestions are highly appreciated.

Best regards,


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