[gmx-users] Atom MNZ1 in residue LYS 107 was not found
s.neumann08 at gmail.com
Mon Apr 16 15:32:09 CEST 2012
Dear Gmx Users,
I run implicit simulation for 1 us with virtual sites on hydrogens, then
using VMD extracted coordinates into the pdb file. As I want to run
explicit solvent simulation now I removed hydrogens so that pdb2gmx will
add them. Then I got an error while trying to pdb2gmx using Charmm27:
Atom MNZ1 in residue LYS 107 was not found in rtp entry LYS with 22 atoms
while sorting atoms.
How come this atom appears in my pdb file? Any suggestions?
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