[gmx-users] print inter and intra energy
balaji nagarajan
balaji_sethu at hotmail.com
Sun Jun 26 11:35:16 CEST 2011
Dear users !
I am new to gromacs !
I have installed the package ! and it is working fine !
I tried to solvate a peptide and i was able to select the force field of my interest ,
I would like to calculate the energy of the structure in terms of inter and intra and i want to
print all the components of the energy both non bonded and bonded.
like , i have solvated a peptide , now could i able to print the inter and intra energy of the same with out doing
minimization in gromacs !
thanks in advance !
regards
balaji
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