[gmx-users] About .rtp File

[Mohd Farid Ismail]

Hi, how would one use the .rtp file with pdb2gmx?  Is pdb2gmx supposed to just find the .rtp file in the local directory?

I wanted to create an entry for a new residue using oplsaa.  However, (assuming I build the .rtp file correctly), the pdb2gmx file wouldn't recognized the residue 'R21' with the error "Residue 'R21' not found in residue topology file.  The file R21.rtp is in the local directory.

--
Mohd Farid Ismail
mohd.farid.ismail at yandex.com