Re: [AMBER] Error while running tleap for the ligand containing two chlorine atoms

From: Jason Swails <jason.swails.gmail.com>
Date: Fri, 20 Feb 2015 10:48:24 -0500

> On Feb 20, 2015, at 10:40 AM, David A Case <case.biomaps.rutgers.edu> wrote:
>
> On Fri, Feb 20, 2015, Jason Swails wrote:
>>
>> In the OP's defense, if he is using Mac OS X, his filesystem is likely
>> case-insensitive, so this should work.
>
> It won't work: He(she) loaded a mol2 file with Tripos atom types, then
> did "saveamberparm". Hard to beleive that this did not emit all kinds of
> fatal errors....

Oh, of course; antechamber would write out a mol2 with gaff atom types.

Thanks,
Jason

--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Feb 20 2015 - 08:00:04 PST
Custom Search