I'm using fixed bond lengths from TRAPPE-UA with [ constraints ] type 1. I'm
attempting to place constraints in an .rtp file for use with pdb2gmx, but it
looks like GROMACS doesn't recognize the keyword in that case. It thinks it is
a new residue name:
Fatal error:
in .rtp file in residue
On 2/13/15 11:34 AM, Barnett, James W wrote:
I'm using fixed bond lengths from TRAPPE-UA with [ constraints ] type 1. I'm
attempting to place constraints in an .rtp file for use with pdb2gmx, but it
looks like GROMACS doesn't recognize the keyword in that case. It thinks it is
a new residue
