Re: [gmx-users] Residue 'FOR' not found in residue topology database

2012-04-12 Thread Lucio Ricardo Montero Valenzuela
Hello. You have to check whether the formyl residue is defined with other name in the force field files. If not, you have to get the parameters for it. Best regards Lucio Montero El jue, 12-04-2012 a las 00:40 -0700, Shima Arasteh escribió: > Dear Gromacs friends, > > > I attached my .pdb file in

AW: [gmx-users] Residue 'FOR' not found in residue topology database

2012-04-12 Thread Rausch, Felix
/Adding_a_Residue_to_a_Force_Field. Cheers, Felix Von: gmx-users-boun...@gromacs.org [mailto:gmx-users-boun...@gromacs.org] Im Auftrag von Shima Arasteh Gesendet: Donnerstag, 12. April 2012 09:43 An: Discussion list for GROMACS users Betreff: [gmx-users] Residue 'FOR' not found in residu

[gmx-users] Residue 'FOR' not found in residue topology database

2012-04-12 Thread Shima Arasteh
Dear Gromacs friends, I attached my .pdb file in this message, as you see, I have formyl residue in it. I'd like to get a .gro output of it by using this commands, but getting the fatal error: # pdb2gmx -f glc.pdb -o glc.gro -ignh -ter -water spc Fatal error: Residue 'FOR' not found in resid