Dear Sir,
This is my script. The frcmod files are already attached with the
mail. The mol2 files and frcmod files are generated by R.E.D. server.
Pls guide
# For solvated str #
source leaprc.ff14SB
set default PBRadii mbondi3
loadAmberParams frcmod.correspondence
loadAmberParams frcmod.known
UNK = loadmol2 Mol-sm_m1-c1-ori.mol2
saveAmberParm UNK gox-vac.top gox-vac.crd
charge UNK
savepdb UNK gox_leap.pdb
quit
On Fri, Mar 11, 2016 at 5:49 PM, David A Case <david.case.rutgers.edu> wrote:
> On Fri, Mar 11, 2016, Jesmita Dhar wrote:
>
>> saveAmberParm UNK UNK.parm UNK.rst
>> Checking Unit.
>> Building topology.
>> Building atom parameters.
>> Building bond parameters.
>> Building angle parameters.
>> Could not find angle parameter: CM - OS - CB
>> Could not find angle parameter: OS - CB - CT
>> Could not find angle parameter: CT - CB - CT
>
> ...etc
>
> We need to know all of the commands you entered into LEaP, not just the last
> one. It looks like you did not load an Amber force field, but that is just a
> guess.
>
> ...dac
>
>
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Received on Fri Mar 11 2016 - 05:00:06 PST
