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<blockquote type=cite class=cite cite><font face="arial" size=2>
I would like to know how should I proceed to perform a energy
minimization of a protein in vacuum instead of a water's box. Is it
possible in GROMACS ?</font></blockquote><br>
Simple do not add the water molecules/solvent to the box.<br><br>
Something as complex and large as a protein might do some unusual things
without the water present though (I don't deal with proteins, so don't
know for sure). I suppose it depends on the reason for wanting to
do the energy minimisation without water present.<br><br>
Catch ya,<br>
<x-sigsep><p></x-sigsep>
<b>Dr. Dallas Warren<br>
</b><i>Research Fellow<br>
</i>Department of Pharmaceutical Biology and Pharmacology<br>
Victorian College of Pharmacy<br>
Monash University<br>
381 Royal Parade<br>
Parkville VIC 3010<br>
<font color="#0000FF"><u>dallas.warren@vcp.monash.edu.au<br>
</u></font>+61 3 9903 9076</html>