subject:"\[gmx\-users\] pdb2gmx\-fatal error in output file"

Re: [gmx-users] pdb2gmx-fatal error in output file

2010-05-09 Thread Mark Abraham

On 10/05/2010 1:49 AM, Justin A. Lemkul wrote: Moeed wrote: Hello, output.pdb2gmx is giving Fatal error: Fatal error: Residue '' not found in residue topology database. Do I need to add Hexane topology to rtp file in library?! Please see below. Thank you very much. It looks

Re: [gmx-users] pdb2gmx-fatal error in output file

2010-05-09 Thread Justin A. Lemkul

Moeed wrote: Hello, output.pdb2gmx is giving Fatal error: Fatal error: Residue '' not found in residue topology database. Do I need to add Hexane topology to rtp file in library?! Please see below. Thank you very much. It looks like the format of your .pdb file is wrong. p

[gmx-users] pdb2gmx-fatal error in output file

2010-05-09 Thread Moeed

Hello, output.pdb2gmx is giving Fatal error: Fatal error: Residue '' not found in residue topology database. Do I need to add Hexane topology to rtp file in library?! Please see below. Thank you very much. ***