Dear Everyone, I am Saurav B. Saha from India. I am newbie to gromacs. I am interested in using gromacs for ligand receptor interaction. But when i started my first step by using "pdb2gmx -f structure.pdb -water tip3p" i am getting fatal error (Fatal error:Atom CD not found in residue seq.nr. 7 while adding atom ) and from error report when i checked my pdb file i did not find any REMARK 465 in my pdb file however, in REMARK 470 i got MISSING ATOM report. I am using protein structure which has been elucidated my wet lab. Kindly help. I dont understand where to begin with.
Thanks in advance. Saurav B. Saha -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users 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 [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
