Re: [gmx-users] fetal erorr while running" pdb2gmx" command

2011-04-18 Thread Tsjerk Wassenaar
Hey Sajad, That sounds quite serious, having a fetal error (http://www.thefreedictionary.com/fetal)! But it seems you just have a missing atom, as is indicated in the output. Check the structure before trying to convert it. In particular, read the sections in the PDB file starting with 'REMARK 46

[gmx-users] fetal erorr while running" pdb2gmx" command

2011-04-18 Thread Sajad Ahrari
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 th