Re: [gmx-users] Can I make make_ndx interactive?

2010-08-04 Thread Jochen Hub
Jennifer Williams wrote: Hi, Is there some way of making the make_ndx file interactive so that I can include it in a script? I would usually type in a C_O and O_C to select my atoms I've tried altering the example on the webpage for making commands interactive: make_ndx -flags EOF a

[gmx-users] Can I make make_ndx interactive?

2010-08-03 Thread Jennifer Williams
Hi, Is there some way of making the make_ndx file interactive so that I can include it in a script? I would usually type in a C_O and O_C to select my atoms I've tried altering the example on the webpage for making commands interactive: make_ndx -flags EOF a C_O OC q EOF -f nn_1.pdb

Re: [gmx-users] Can I make make_ndx interactive?

2010-08-03 Thread Mark Abraham
- Original Message - From: Jennifer Williams jennifer.willi...@ed.ac.uk Date: Wednesday, August 4, 2010 1:47 Subject: [gmx-users] Can I make make_ndx interactive? To: gmx-users@gromacs.org Hi, Is there some way of making the make_ndx file interactive so that I can include