[gmx-users] fetal erorr while running" pdb2gmx" command
Sajad Ahrari
sajadahrari at yahoo.com
Mon Apr 18 10:27:08 CEST 2011
dear users
after running the command "pdb2gmx -f 1OL5.pdb -o 1OL5.gro -water spc" ,i was
faced with the erorr: "Fatal error: Atom CG not found in residue seq.nr. 251
while adding atom". i used Gromacs 4.5.3
with AMBER99SB force field. it seems that some atomes are missing.should i be
modeling the protein to have all it's atoms? is Gromacs have any features to
correct the missing ones?
thanks!
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