[Chimera-users] write prmtop, source leaprc.ff14SB

stu118506 stu118506 at mail.uni-kiel.de
Mon Jan 8 05:51:13 PST 2018

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: 

'-f', '/scratch/tmpOlw0GO/solvate.cmd']_
_Running sleap command:
-f /scratch/tmpOlw0GO/solvate.cmd_
_(writeprmtop) [gtkleap]$ source leaprc.ff14SB_ 

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

_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
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