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<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>>
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