Dear Chimera users,

I'd like to save a prmtop file of my protein after preparation for molecular dynamics simulation.

I tried to do it by using Tools - Amber - write Prmtop .

I get this reply log entry:

command: ['/gpfs/fs5/home-sh/sumbi463/.local/UCSF-Chimera64-2017-12-05/bin/amber16/bin/sleap', '-f', '/scratch/tmpOlw0GO/solvate.cmd']
Running sleap command: /gpfs/fs5/home-sh/sumbi463/.local/UCSF-Chimera64-2017-12-05/bin/amber16/bin/sleap -f /scratch/tmpOlw0GO/solvate.cmd
(writeprmtop) [gtkleap]$ source leaprc.ff14SB

(writeprmtop) Error: can not find file leaprc.ff14SB in all the search path.

Failure running sleap

I guess that it should source oldff/leaprc.ff14SB because the file seems to be in the directory oldff. But I don't know if that is right and were I have to change the path.

Additionally, addions works perfectly although leaprc.ff14SB is also needed. So there the path seems to be set correctly.

Is there anything I can do about it?

Thank you

Freia Krause

Christian-Albrechts Universität zu Kiel,Germany