Re: [gmx-users] editconf and "conect" option

2013-12-12 Thread Steve
Thanks for your response. When I used the tpr file it DID work. When I tried the pdb file here is the error message I got: Program editconf, VERSION 4.5.4 Source code file: tpxio.c, line: 1970 Fatal error: Can not read file 50ps.pdb, this file is from a Gromacs version which is old

Re: [gmx-users] editconf and "conect" option

2013-12-11 Thread David van der Spoel
On 2013-12-11 20:46, Steve wrote: Hello I am trying to have gromacs (using editconf) write a connect section to my pdb file, but it keeps failing giving me a strange error about using an old gromacs version 2 when making my pdb file. This is erroneous. I don't even have that version..I'm sure I'm

[gmx-users] editconf and "conect" option

2013-12-11 Thread Steve
Hello I am trying to have gromacs (using editconf) write a connect section to my pdb file, but it keeps failing giving me a strange error about using an old gromacs version 2 when making my pdb file. This is erroneous. I don't even have that version..I'm sure I'm using the command line incorrectly.