Hi all,
I got this error : Atom CA is used in an interaction of type improper in the topology database, but an atom of that name was not found in residue number 2. I checked the pdb file and rtp file. .rtp file: [ SER ] [ atoms ] N N -0.280 0 H H 0.280 0 CA CH1 0.000 1 CB CH2 0.150 2 OG OA -0.548 2 HG HO 0.398 2 C C 0.380 3 O O -0.380 3 .pdb file: ATOM 10 N SER 2 -3.181 3.235 3.442 ATOM 11 CA SER 2 -3.363 4.671 3.524 ATOM 12 C SER 2 -4.135 5.054 4.778 ATOM 13 O SER 2 -5.272 4.628 4.966 ATOM 14 CB SER 2 -4.138 5.196 2.320 ATOM 15 OG SER 2 -4.296 6.612 2.437 I guess they are in agreement, so what's the problem? Sincerely, Shima -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
