Re: [gmx-users] Fatal error: Atom O in residue CCMT 1 not found in rtp entry with 38 atoms while sorting atoms

2009-11-04 Thread Justin A. Lemkul
Chandan Choudhury wrote: My complete input file is ATOM 1 NCCMT 1 -2.521 -2.813 2.083 0.00 0.00 ATOM 2 CA CCMT 1 -2.925 -1.739 1.166 0.00 0.00 ATOM 3 CCCMT 1 -1.711 -0.842 0.859 0.00 0.00 ATOM 4 CB CCMT 1 -4.034

[gmx-users] Fatal error: Atom O in residue CCMT 1 not found in rtp entry with 38 atoms while sorting atoms

2009-11-03 Thread Chandan Choudhury
Hi everyone !! I am having a problem using pdb2gmx command. Using the command on my input pdb file, it results saying Fatal error: Atom O in residue CCMT 1 not found in rtp entry with 38 atoms while sorting atoms. I do not have only O either in input pdb file or in rtp file. and its O and not 0

Re: [gmx-users] Fatal error: Atom O in residue CCMT 1 not found in rtp entry with 38 atoms while sorting atoms

2009-11-03 Thread Mark Abraham
Chandan Choudhury wrote: Hi everyone !! I am having a problem using pdb2gmx command. Using the command on my input pdb file, it results saying Fatal error: Atom O in residue CCMT 1 not found in rtp entry with 38 atoms while sorting atoms. I do not have only O either in input pdb file or in

Re: [gmx-users] Fatal error: Atom O in residue CCMT 1 not found in rtp entry with 38 atoms while sorting atoms

2009-11-03 Thread Mark Abraham
Chandan Choudhury wrote: My complete input file is ATOM 1 NCCMT 1 -2.521 -2.813 2.083 0.00 0.00 ATOM 2 CA CCMT 1 -2.925 -1.739 1.166 0.00 0.00 ATOM 3 CCCMT 1 -1.711 -0.842 0.859 0.00 0.00 ATOM 4 CB CCMT 1 -4.034 -0.895