Hello, everyone
I'm new at AMBER and I try to learning it.
Since I have always used TRIPOS I have lots of stuff in mol2 format I'd like
to use in amber. Till here there is no problem at all, but at the time I
convert the mol2 molecules into PDB files all the problems come out.
When I try to use the new PDB file, leap (or xleap) turned out that the
molecule have no atom type.
I checked and this is true, but I work with ligand-receptor complexes and
unfortunately the ligands are not protein based molecules and are thus
converted in a UNK residue.
Going around the AMBER distribution I founf a tripos_util command, but it is
not working or I do not how to use it.
Is there any utilities to convert a TRIPOS mol2 file into a AMBER one or in
a PDB file with the right atom types.
Anyone out there can help me?
Thank you in advance, I will summarize the answers i got.
Rino
++-------------------------------------------------------++
|| Dr. Rino Ragno ||
|| Dip. Studi Chimica Tecnonologia Sostanze ||
|| Biologicamente Attive ||
|| Facolta' di Farmacia - Universita' "La Sapienza" ||
|| P.le Aldo Moro, 5 - 00185 - Roma/Italia ||
|| ||
|| E-mail: rino.ragno_at_uniroma1.it (work) ||
++-------------------------------------------------------++
Received on Wed May 16 2001 - 04:47:15 PDT
