Dear all,
I work with amber 11 and ambertools 1.5 (patched).
I am trying to use leaprc.amoeba in sleap.
Here is my input file :
source leaprc.amoeba
source leaprc.gaff
frcmod1 = loadamberparams 1.frcmod
prot = loadpdb protein.pdb
lig = loadmol2 ligand.mol2
complex = combine {prot lig}
saveamoebaparm complex complex.top complex.crd
quit
This works fine with leaprc.ff03.r1 or others. But using leaprc.amoeba,
I get the following message when sleap try "saveamoebaparm ...":
"get typeid of -1
Error (get_iptr): while retrieving parameter typeid, impossible abs ID
(-1)"
Is it because gaff and amoeba are not compatible?
G.GUENEGOU
PS : cannot have access to amber mailing list archives, so I could not
check if there is a solution already posted...
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Received on Mon Sep 05 2011 - 14:30:03 PDT
