Re: [AMBER] multiconformational respgen with fixed charges and gcc 4.8

From: David Case <>
Date: Sun, 30 Dec 2018 14:06:28 +0000

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

I don't think it is you have a proposed code fix? (Not
necessary: just trying to save time in case you do....)

...thanks for the report....dac

AMBER mailing list
Received on Sun Dec 30 2018 - 06:30:04 PST
Custom Search