Re: [gmx-users] Creating Custom .rtp files

On 8/2/17 5:07 AM, Momin Ahmad wrote: I think the reason for the weird log is the "|" command that lets you write the output of another command into a file. In the case of the error i could choose the forcefield before the error occurred. The methane was called "CH4" before, i just changed

Re: [gmx-users] Creating Custom .rtp files

I think the reason for the weird log is the "|" command that lets you write the output of another command into a file. In the case of the error i could choose the forcefield before the error occurred. The methane was called "CH4" before, i just changed the names for troubleshooting. This time

Re: [gmx-users] Creating Custom .rtp files

On 8/1/17 10:32 AM, Momin Ahmad wrote: please finde the files attached to this email: log-files for the 5.1.2 version and the 2016.3 version, also again the .rtp file and the .pdb file The screen output seems garbled to me, with the fatal error coming before the force field selection, and

Re: [gmx-users] Creating Custom .rtp files

please finde the files attached to this email: log-files for the 5.1.2 version and the 2016.3 version, also again the .rtp file and the .pdb file Am 01.08.2017 um 00:48 schrieb Justin Lemkul: On 7/31/17 7:47 AM, Momin Ahmad wrote: Hello, the .rtp file is located in the same directory as

Re: [gmx-users] Creating Custom .rtp files

Hello, the .rtp file is located in the same directory as the force-field. When i type gmx gmx2pdb . then the log shows that the right path is considered and loads the needed .rtp fiels that already exist in the forc-field file. But my custom one is ignored. Greets Momin Ahmad Am

Re: [gmx-users] Creating Custom .rtp files

On Tue, 25 Jul 2017 at 5:58 PM, Momin Ahmad wrote: > Hi, > > I created a custom .pdb file and the associated .rtp file for the > force-field (amber99sb-ildn.ff). The command pdb2gmx works fine for the > 5.1.2 version of gromacs but not for the 2016.3 version. The 2016.3 >