Dear AMBER users,
I want run a molecular dynamics job with AMBER8, and I have my
molecule in a mol2 file generated with the Spartan.
For start the molecular dynamics with the sander I need first a
coordinate and topology file, and for this purpose I use the xleap.
For load the mol2 file I use this command:
LIG=loadmol2 name_of_my_file.mol2
and I don't obtain any error, but when I use the command "list" the
LIG residue doesn't appear in the list.
Why happens this? How can I solve it?
regards,
José Luis
P.D.: I know the possibility of generate a prepin file with the
antechamber, but my molecule is too big for this sub program.
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Received on Fri Jul 24 2009 - 18:07:12 PDT
