On Sun, Dec 23, 2018, Stephan Schott wrote:
>I have been playing around with multiconformational RESP fitting, ....
>
>I checked differences between the respin file generated with respgen for
>fixed charges and for resp2, and there is a space lacking between the
>molecule and the multiconformation definitions (which makes sense with gcc
>compilers). Adding a space by hand works like a charm. Is this something
>known?
I don't think it is known....do you have a proposed code fix? (Not
necessary: just trying to save time in case you do....)
...thanks for the report....dac
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Received on Sun Dec 30 2018 - 06:30:04 PST
