[Chimera-users] write prmtop, source leaprc.ff14SB
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:
_Running sleap command:
_(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?
Christian-Albrechts Universität zu Kiel,Germany
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