Re: [AMBER] Using polarizable force field ff02 in AMBER 14

From: Aishwarya Venkatramani <>
Date: Mon, 7 Aug 2017 14:41:23 -0400

When I run the script again with the change oldff/leaprc.ff02pol.r1

ff02 is loaded correctly, but I get this error:

Could not open file all_nucleic02.lib: not found

Could not open database: all_nucleic02.lib

Could not open file all_amino02.r1.lib: not found

Could not open database: all_amino02.r1.lib

Could not open file all_aminoct02.lib: not found

Could not open database: all_aminoct02.lib

Could not open file all_aminont02.lib: not found

Could not open database: all_aminont02.lib

When I look at $AMBERHOME/dat/leap/lib these library files are

not present. Will I have to load them from somewhere else?



On Fri, Aug 4, 2017 at 11:18 AM, David A Case <>

> On Fri, Aug 04, 2017, Aishwarya Venkatramani wrote:
> > Could not open file leaprc.ff02: not found
> You have to read the manual carefully (and maybe we should try to make this
> more prominent.) ff02 and related force fields are listed in Section
> 3.9 as "obsolete force fields". At the beginning of that section, it says
> "The leaprc files that load these files have been moved to
> $AMBERHOME/dat/leap/parm/oldff" -- that is actually a typo: should be
> $AMBERHOME/dat/leap/cmd/oldff. (I'll submit a fix to the manual.)
> So: you need to tell tleap to "source oldff/leaprc.ff02pol.r1" -- you
> almost
> certainly want the "revised" parameters, as described in section 3.9.4
> of the Reference Manual.
> If you are serious about such simulations, you might want to contact Prof.
> Yong Duan at UC Davis, to see if he has more recent parameters that he
> might
> want to recommend.
> ....dac
> _______________________________________________
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Received on Mon Aug 07 2017 - 12:00:02 PDT
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