Dear Amber users,
I am trying to create topology and coordinate files for the protein which
contains Arsenic. I am following 126-LJ non bonded tutorial. I am using
AMBER 16 and AmberTools 17.
Here is the tleap.in file
source leaprc.protein.ff14SB
source leaprc.gaff
source leaprc.water.spce
loadamberparams frcmod.ions1lm_126_tip3p
loadamberparams fcrmod.ionsjc_tip3p
loadoff atomic_ions.lib
AS = loadmol2 AS.mol2
mol = loadpdb ArsD120_AS_initial_sele.pdb
solvatebox mol SPCBOX 8
addions mol Na+ 0
savepdb mol As_ArsD.pdb
saveamberparm mol As_ArsD.prmtop As_ArsD.inpcrd
quit
I have loaded the mol2 file but still I am getting an error mentioned below.
For atom: .R<AS 121>.A<AS 1> Could not find vdW (or other) parameters for
type: AS
Please help me to solve this issue.
Sincerely,
Shilpa T
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Received on Thu Sep 06 2018 - 05:30:02 PDT
