Hello David,
I loaded ff96. This is my input script for tleap.
----------------------------------------------
source /share/home/01493/bkim/packages/amber11/dat/leap/cmd/oldff/leaprc.ff96
hs = sequence {GLY GLU TRP THR TYR ASP ASP ALA THR LYS THR PHE THR VAL
THR GLU}
set default PBradii mbondi
savepdb hs beta.pdb
saveamberparm hs beta.prmtop beta.inpcrd
---------------------------------------------------------------
Thank you.
Bongkeun Kim
Quoting "David A. Case" <case.biomaps.rutgers.edu>:
> On Thu, Jun 09, 2011, Bongkeun Kim wrote:
>
>> When I generated prmtop sequence from tleap, I didn't specified N and
>> C terminal. I used GNY and GLU instead of NGLY and CGLU.
>
> But this substitution is automatically done with all of the standard leaprc
> files. Did you not load a leaprc?
>
> ....dac
>
>
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Received on Fri Jun 10 2011 - 14:00:03 PDT
