No, they are of one or two letter.
On Sat, Mar 2, 2013 at 11:52 PM, Jason Swails <jason.swails.gmail.com>wrote:
> Do any of the atom types in your frcmod file have more than 2 letters in
> them?
>
> On Sat, Mar 2, 2013 at 4:03 AM, Kshatresh Dutta Dubey
> <kshatresh.gmail.com>wrote:
>
> > Hi Daniel
> >
> > Thanks for your reply. I am using Amber Tool 1.5, i.e amber 11. I used
> > folowing commands for antechamber-
> > antechamber -i input.gout -fi gout -o output.prepin -fo prepi -c resp -s
> 2
> > -j both -at amber -rn AS
> > parmchk -i output.prepin -f prepi -o output.frcmod
> >
> > and following commands for Leap section
> > tleap
> > >source leaprc.ff10
> > >source leaprc.gaff
> > >loadamberprep output.prepin
> > Loading Prep file: ./output.prpin
> > >loadamberparams output.frcmod
> > Loading parameters: ./output.frcmod
> > Reading force field modification type file (frcmod)
> > Reading title:
> > remark goes here
> > !FATAL ERROR----------------------------------------
> > !FATAL: In file [varArray.c], line 182
> > !FATAL: Message: Realloc: Cannot allocate memory!
> > !ABORTING.
> >
> > Thanks in adavance
> > kshatresh
> >
> >
> > On Fri, Mar 1, 2013 at 8:14 PM, Daniel Roe <daniel.r.roe.gmail.com>
> wrote:
> >
> > > Hi,
> > >
> > > Could you list the exact commands you used and the output (including
> > > any error messages) that it produced? Also, what version of AmberTools
> > > are you using, and have all bugfixes been applied?
> > >
> > > -Dan
> > >
> > > On Fri, Mar 1, 2013 at 6:28 AM, Kshatresh Dutta Dubey
> > > <kshatresh.gmail.com> wrote:
> > > > Dear All,
> > > >
> > > > I have to simulate Arsenite, As(OH)3, using Amber. I optimized the
> > > > structure using Gaussian and calculated ESP fitting. I successfully
> > > > generated the prepin and frcmod files using antechamber and resp
> > > procedure.
> > > > Unfortunately, I am unable to generate corresponding topology and
> > > > coordinate file using Leap. During the process, leap accepts prepin
> > file
> > > > but the it is unable to load corresponding frcmod file.
> > > > Please help me to solve this issue.
> > > > Thanks in advance
> > > >
> > > > Kshatresh
> > > > _______________________________________________
> > > > AMBER mailing list
> > > > AMBER.ambermd.org
> > > > http://lists.ambermd.org/mailman/listinfo/amber
> > >
> > >
> > >
> > > --
> > > -------------------------
> > > Daniel R. Roe, PhD
> > > Department of Medicinal Chemistry
> > > University of Utah
> > > 30 South 2000 East, Room 201
> > > Salt Lake City, UT 84112-5820
> > > http://home.chpc.utah.edu/~cheatham/
> > > (801) 587-9652
> > > (801) 585-9119 (Fax)
> > >
> > > _______________________________________________
> > > AMBER mailing list
> > > AMBER.ambermd.org
> > > http://lists.ambermd.org/mailman/listinfo/amber
> > >
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Candidate
> 352-392-4032
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> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Sat Mar 02 2013 - 11:00:02 PST
