2019년 1월 13일 (일) 오전 6:48, David Case <david.case.rutgers.edu>님이 작성:
> On Fri, Jan 11, 2019, changseo park wrote:
> >
> >I'm new user of Amber 16
>
> Just to make sure: are you planning to use the FEW option? If not, you
> can put aside these error problems.
>
Thanks for reply!
I will use amber to get GAFF parameter for Poly ionic liquid
Also, I calculate RESP charge.
Do I need FEW options??
Sorry, I don't have deep understanding about options in Amber, since I'm
new user.
>
> Second, with a complex problem like this, we would certainly ask that
> you upgrade to AmberToools18, and see if this has been fixed. There
> were some issues about finding Perl modules that were resolved
> relatively recently, although I don't have a good recollection of
> exactly what they were.
>
>
Actually, I tried to install Amber 18 at first, and it shows some critical
error
when I compile Amber18 with intel compiler version 18.0.2
The error said that the Amber18 has critical error with 18 intel complier.
Is there any option to use former version of intel compiler when I install
Amber in parallel??
> ...good luck....dac
>
>
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Received on Tue Jan 15 2019 - 04:30:02 PST
