Hello,
I am using sleap in AmberTools version 1.4 to create prmtop and inpcrd files
for use with the amoeba force field. After loading the .mol2 file
em_ac.mol2 with the command:
mol = loadmol2 em_ac.mol2
I receive the following error:
sleap: data.cpp:276: void mort::mcmpdata_t::set_s(const mort::hashid_t&,
int, const std::string&): Assertion `absid >= 0 && absid < m_idcounter'
failed.
Aborted
However, the file is loaded without error when using tleap. I have attached
the .mol2 file. Do you notice anything in the file that would cause sleap
to fail?
Thank you,
Rob
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Mar 30 2011 - 06:30:03 PDT
