<html><div style='background-color:'><P><BR><BR></P>
<DIV>
<DIV class=RTE>
<P>yes u r right<BR><BR></P></DIV>
<DIV></DIV>>From: Valerio Bellini <vbellini@unimo.it>
<DIV></DIV>>Reply-To: wien@zeus.theochem.tuwien.ac.at
<DIV></DIV>>To: wien@zeus.theochem.tuwien.ac.at
<DIV></DIV>>Subject: Re: [Wien] Forces and atom coordinates
<DIV></DIV>>Date: Wed, 15 Sep 2004 11:08:08 +0200
<DIV></DIV>>
<DIV></DIV>>Leonardo Pisani wrote:
<DIV></DIV>>
<DIV></DIV>>>Dear Wien users,
<DIV></DIV>>>
<DIV></DIV>>>can anyone tell me which one of the equivalent atom coordinates the
<DIV></DIV>>>global frame force components refer to ?
<DIV></DIV>>>Is it the first atom coordinates for each inequivalent atom in the
<DIV></DIV>>>structure file?
<DIV></DIV>>>
<DIV></DIV>>>
<DIV></DIV>>
<DIV></DIV>>As far as I know, yes!
<DIV></DIV>>cheers,
<DIV></DIV>>Valerio
<DIV></DIV>>
<DIV></DIV>>_______________________________________________
<DIV></DIV>>Wien mailing list
<DIV></DIV>>Wien@zeus.theochem.tuwien.ac.at
<DIV></DIV>>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
<DIV></DIV></DIV></div><br clear=all><hr>STOP MORE SPAM with <a href="http://g.msn.com/8HMBEN/2728??PS=47575">the new MSN 8</a> and get 2 months FREE*</html>