[gmx-developers] atom types case sensitive

Berk Hess hess at cbr.su.se
Tue May 11 18:23:47 CEST 2010


Hi,

I have made the atom type names case sensitive, because a proper port
of the Amber force fields requires this.
I had to modify the ions.itp file of oplsaa, because there was a case
mismatch.

If someone knows if case sensitivity for atom types (not atom names) could
cause any issues, please tell me.

Thanks,

Berk




More information about the gromacs.org_gmx-developers mailing list