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<DIV><FONT face=Arial size=2>Dear Gromacs list members,</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>I need obtain Rgmax parameters (with water H
or O) and hydration energies for single atoms corresponding for example Amber
atom types using mol dynamics.</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>How can I introduce such single atoms in simulation
with possibility to use specific for these atoms vdw parameters and charges and
how can I obtain what I want with Gromacs.</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>I'll be glade for any suggestions.</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>Many Thanks for help.</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>D. Egorov.</FONT></DIV>
<DIV><FONT face=Arial size=2>Ural State Medical
Academy.</FONT></DIV></BODY></HTML>