Re: [AMBER] Loading .mol2 file in sleap

From: Ben Roberts <ben.roberts.geek.nz>
Date: Wed, 30 Mar 2011 16:19:21 -0400

Hi Rob,

On 30/3/2011, at 3:30 p.m., r smith wrote:

> Hi Ben,
>
> Thanks for the response. I have attached the files I am using that gives
> the error.

You seem to have come across a bug in sleap. For example, when I try to run the same in my development version (in which some ASSERTs have been replaced with error messages), I get:

[gtkleap]$ saveAmoebaParm mol prmtop inpcrd
saveAmoebaParm mol prmtop inpcrd
get typeid of -1
Error (get_iptr): while retrieving parameter typeid, impossible abs ID (-1)

I'm not sure what the root cause is, but I'll put together a more comprehensive bug report, because in my attempts to fix it I came across some other troubling errors.

Thanks,
Ben

-- 
For greater security, I support S/MIME encryption.





_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber


Received on Wed Mar 30 2011 - 13:30:03 PDT
Custom Search