> Dear all Amber users,I planned to do simulation of DNA in water. The DNA
> length is 36 bp. However after addition of 2 potassium ion, the input
> file (.inpcrd) was not generated.I get error message from the log
> > saveamberparm wat1 ../input_wat/wat01.prmtop ../input_wat/wat01.inpcrd
>
> Checking Unit.
> FATAL: Atom .R<K 37>.A<K+ 2> does not have a type.
> FATAL: Atom .R<K 38>.A<K+ 2> does not have a type.
The residue name is K which is not consistent with the libraries (assuming
you did load up some ion parameters) so if ion is in the PDB file, change
the residue name to K+.
--tec3
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Mar 25 2020 - 14:30:01 PDT
