Dear all,
I'd like to create a prmtop directly from a pdb file
that includes only heavy atoms and the backbone atoms
(just kept the atoms downloaded from the PDB website).
I modified the atomic type until tleap sent no complains.
But when I use loadpdb command, the program
automatically adds up H atoms as below.
How can I deactive this H-adding process in tleap?
> x = loadpdb "tmp.pdb"
Loading PDB file: ./tmp.pdb
total atoms in file: 816
Leap added 492 missing atoms according to residue templates:
492 H / lone pairs
Thank you very much.
Sincerely,
Margaret
Received on Fri Sep 01 2000 - 17:48:20 PDT
