Hi All,
I want to use FF99SB and parmBSC1 for my system. This my T-Leap script :
===========================================================
source /usr/local/amber18/dat/leap/lib/parmBSC1.lib
source /usr/local/amber18/dat/leap/cmd/oldff/leaprc.ff99SB
set default PBradii bondi
WAT=OPC
mods = loadAmberParams frcmod.opc
mods = loadAmberParams frcmod.ions1lm_126_iod_opc
mol = loadpdb 1kx5-HPP.pdb
addions mol Na+ 0
addions mol Cl- 0
solvateBox mol OPCBOX 25
addions2 mol Na+ 30
addions2 mol Cl- 30
saveamberparm mol 1KX5-ED25A-HPP-PDB-iodFF.top 1KX5-ED25A-HPP-PDB-iodFF.crd
quit
===============================================================
I am getting this error:
/usr/local/amber18/bin/teLeap: Fatal Error!
Error from the parser: syntax error
How can I solve this problem?
--
Parviz Seifpanahi
Ph.D. Candidate
Department of Physics
Virginia Tech, Blacksburg, Va 24061
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Received on Fri Aug 09 2019 - 10:00:02 PDT
