Re: [gmx-users] Use of -nr for order parameters

2017-03-09 Thread Justin Lemkul
On 3/9/17 2:41 PM, Wally Davis wrote: My input line is: gmx order -s test.tpr -f fullTraj.trr -n orderParam.ndx The index file is formated with 3 groups, one per carbon along the chain of interest. The error I get is: "In option nr Required option was not provided, and the default file

Re: [gmx-users] Use of -nr for order parameters

2017-03-09 Thread Wally Davis
My input line is: gmx order -s test.tpr -f fullTraj.trr -n orderParam.ndx  The index file is formated with 3 groups, one per carbon along the chain of interest. The error I get is: "In option nr  Required option was not provided, and the default file 'index' does not exist or is not accessible.  

Re: [gmx-users] Use of -nr for order parameters

2017-03-08 Thread Justin Lemkul
On 3/8/17 4:46 PM, Wally Davis wrote: Hi, I'm trying to use the g_order function. I have formated my .ndx file with one group per carbon and provide this file under the -n input option. However, I alway get the error that the -nr file is not found. What is the extra .ndx file I need to

[gmx-users] Use of -nr for order parameters

2017-03-08 Thread Wally Davis
Hi, I'm trying to use the g_order function. I have formated my .ndx file with one group per carbon and provide this file under the -n input option. However, I alway get the error that the -nr file is not found. What is the extra .ndx file I need to provide? -- Gromacs Users mailing list *