Dear all AMBER users,
After averaging a structure from the MD trajectory in PDB format, I loaded
this structure into xleap to make top and crd files for energy
minimization. When I was loading pdb file into xlaep, I got a message "leap
added 2594 missing atoms according to residue templates: 2584 H/lone pairs,
10 unknown element". But I could save the prmtop and inpcrd files for this
structure without complaints. So I wonder what are the possible unknown
elements and if they affect the energy minimization?
Thanks in advance.
Youyi Peng
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Received on Wed Feb 25 2004 - 21:53:01 PST
