From: SHRUTEE JEURKAR (shrutisena18_at_gmail.com)
Date: Thu Jun 06 2019 - 02:29:47 CDT
I am generating the parameters, using FFTK tool(VMD 1.9.4), of chain
molecule which has ether oxygen in it. For charge optimization, I am
running water interaction calculation in Gaussian & it is terminating
normally. As oxygen is h-bond acceptor, I have generated its Gaussian input
file accordingly. The log file of water molecule interaction with ether
oxygen is running smoothly in gview. But while uploading the log file in
FFTK in "water interaction" tab, it is showing "Error:vecsub:two vectors
don't have the same size". Earlier when I used FFTK for another molecule
which had carbonyl oxygen, it worked without any error.
How can I resolve the error? Can anyone guide me?
Thank You in advance.
Thanks & Regards,
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