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PC GAMESS ignores FVALUE?
Roman Zubatyuk
zubatyuk@gmail.com
It seems that the latest versions of the program ignores FVALUE keyword in $zmat. I'm trying to freeze internal coordinate to 6.0 using IFZMAT and FVALUE according to common GAMESS (US)/PC GAMESS documentation. In the input geometry this internal coordinate has value of 6.07. The PC GAMESS actually freezes the coordinate, but does not change its value to specified by FVALUE keyword. Is there any new keywords that have replaced the FVALUE?Here is my $ZMAT group:
INPUT CARD> $zmat dlc=.t. auto=.t.
INPUT CARD> ifzmat(1)=1,18,29 fvalue(1)=6.0 nonvdw(1)=18,29 $end
Roman.
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Mon Jul 31 '06
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