[gmx-users] Energy_averages

Nelilma Correia nelilma at far.fiocruz.br
Tue Jul 22 16:24:01 CEST 2003

Dear all,

  I am a beginner with GROMACS and would like to know if it is possible to 
get vdw/electrostatic/solvation energy averages from MD simulations in this 
package aiming at doing LIE binding energy predictions!
            Thank you beforehand for any help!!!


Dra. Nelilma C. Romeiro
Coordenadora de Pesquisa I
Modelagem Molecular
Tel: 3977-2464
e-mail: nelilma at far.fiocruz.br

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