[gmx-users] Re: Genbox center of box

2013-06-11 Thread Matt Bawn
OK I found the problem. I had installed Surfnet the protein cavity finder a few weeks ago, and it turns out this also has a function called genbox! so my silly mistake. I was wondering why centre and not center. Thanks, Matt On Mon, Jun 10, 2013 at 6:23 PM, Justin Lemkul [via GROMACS] < ml-

Re: [gmx-users] Re: Genbox center of box

2013-06-10 Thread Justin Lemkul
On 6/10/13 3:26 PM, Matt Bawn wrote: I have never seen such a prompt, and I cannot reproduce the problem with version 4.5.5 on my machine. Did you install from source, or from some external binary or package manager? Are you running Gromacs directly, or are you using any GUI interface o

[gmx-users] Re: Genbox center of box

2013-06-10 Thread Matt Bawn
>I have never seen such a prompt, and I cannot reproduce the problem with version >4.5.5 on my machine. Did you install from source, or from some external binary >or package manager? Are you running Gromacs directly, or are you using any GUI >interface of any sort? Does the problem persist with

Re: [gmx-users] Re: Genbox center of box

2013-06-10 Thread Justin Lemkul
On 6/10/13 2:33 PM, Matt Bawn wrote: Can you please provide your exact sequence of commands (up to, and including, genbox) and the exact error message (copied and pasted from the terminal)? Which version of Gromacs are you using? I'm using Gromacs 4.5.5 1 pdb2gmx -f 2CCA_dw.pdb -o 2CCA_p

[gmx-users] Re: Genbox center of box

2013-06-10 Thread Matt Bawn
>Can you please provide your exact sequence of commands (up to, and including, >genbox) and the exact error message (copied and pasted from the terminal)? >Which version of Gromacs are you using? I'm using Gromacs 4.5.5 1 pdb2gmx -f 2CCA_dw.pdb -o 2CCA_processed.gro -water spce -merge all FF