<DIV>Hi,</DIV>
<DIV>is there any way to carry out quantum chemical calculations with gmx? I mean, if there is already (or someone is trying to develop) any interface with some of the free QM package to carry out QM/MM calculations in combination with the gmx force-field.</DIV>
<DIV>thanks</DIV>
<DIV> </DIV>
<DIV>sergio</DIV>
<DIV>NIH, Bethesda, MD</DIV><BR><BR><DIV>________________________________________ <BR><BR><FONT face="times new roman">Sergio A. Hassan, PhD <BR>Staff Scientist <BR>Center for Molecular Modeling (CMM) <BR>Division of Computational Bioscience (DCB/CIT) <BR>National Institutes of Health (NIH) <BR>9000 Rockville Pike, Building 12, Room 2049 <BR>Bethesda, Maryland 20892 <BR><BR>E-mail: mago@helix.nih.gov <BR>URL: http://cmm.cit.nih.gov/~mago <BR>TEL: (301) 402-1382 <BR>FAX: (301) 402-2867 <BR></FONT>_________________________________________</DIV>