Hi,
Can you send me the topology file off-list so I can replicate the error? Thanks.
-Dan
On Thu, Jan 21, 2021 at 10:15 AM Stejskal, Lenka
<lenka.stejskal.15.ucl.ac.uk> wrote:
>
>
> Hi, I am having issue with topology file reading in cpptraj. I had the CMAP issue reported previously: http://archive.ambermd.org/202012/0257.html<https://eur01.safelinks.protection.outlook.com/?url=http%3A%2F%2Farchive.ambermd.org%2F202012%2F0257.html&data=04%7C01%7C%7Cf383af2e807f4e9ec14d08d8bdefead3%7C1faf88fea9984c5b93c9210a11d9a5c2%7C0%7C0%7C637468185431308783%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C1000&sdata=siDuZb85C29nPtgI4PMECN7Qsghb701fpSVtwzqAXSc%3D&reserved=0>
>
> I have used the latest version of cpptraj and it crashes:
>
> parm step5_input.parm7
> parm step5_input.parm7
> Reading 'step5_input.parm7' as Amber Topology
> CHAMBER topology:
> CHARMM36 All-atom Force Field
> terminate called after throwing an instance of 'BadConversion'
> what():convertToInteger("IO.")
> Abort (core dumped)
>
>
> Thank you,
>
> Lenka
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Jan 21 2021 - 07:30:03 PST
