VMD-L Mailing List
From: rasti_at_ut.ac.ir
Date: Sun Sep 15 2013 - 03:17:42 CDT
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Dear VMD Users,
I want to calculate the total energy for a molecule.
I have been trying the "molinfo top get {energy}" command, but it keeps
giving the 0.00 value for whatever molecule which is selected.
Any help will be appreciated.
Regards,
Behnam
- Next message: surya narayanan chandrasekaran: "regd arrangment of atom types in psf and par from fftk"
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- Next in thread: Norman Geist: "AW: calculating total energy"
- Reply: Norman Geist: "AW: calculating total energy"
- Reply: John Stone: "Re: calculating total energy"
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