[gmx-users] G-mmpbsa

farial tavakoli farial.tavakoli at ymail.com
Thu Nov 30 14:25:28 CET 2017

 blockquote, div.yahoo_quoted { margin-left: 0 !important; border-left:1px #715FFA solid !important; padding-left:1ex !important; background-color:white !important; }  Dear gmx users
I used g_mmpbsa to calculate the binding energy of my complex. But the results was positive .Is there anyone can help me how come the calculated total binding energy was positive? I searched google, and found it might be because of the polar dielectric constant. I increased pdie from 2 as default value to 4. But got the same results. ( total energy was pisitive) . I know g_mmpbsa doesnt relate to here but  I would really be appreciated it if someone can help me
Thanks in advanceFarial

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