Re: [SIESTA-L] Force vs Iteration

2014-09-18 Por tôpico Suman Chowdhury
I don't understand what you are saying...Can you please it clearly step by step.. On Wed, Sep 17, 2014 at 8:50 PM, Irtaza Hassan irtazahassa...@gmail.com wrote: grep 'constrained' outputfile filename.ext use filename.ext file for plots. On Wed, Sep 17, 2014 at 8:08 PM, Suman Chowdhury

[SIESTA-L] Force vs Iteration

2014-09-17 Por tôpico Suman Chowdhury
Dear all, I need to produce a graph Force vs MD steps.Can you please tell me how to do that. IT is very urgent.? -- *Junior research fellow Dept. of Physics, University of Calcutta Kolkata- 79, West Bengal, India.* * Ph no-+91-9830512232*

Re: [SIESTA-L] Force vs Iteration

2014-09-17 Por tôpico Irtaza Hassan
grep 'constrained' outputfile On Wed, Sep 17, 2014 at 8:08 PM, Suman Chowdhury sumanchowdhur...@gmail.com wrote: Dear all, I need to produce a graph Force vs MD steps.Can you please tell me how to do that. IT is very urgent.? -- *Junior research fellow Dept. of Physics, University of

Re: [SIESTA-L] Force vs Iteration

2014-09-17 Por tôpico Irtaza Hassan
grep 'constrained' outputfile filename.ext use filename.ext file for plots. On Wed, Sep 17, 2014 at 8:08 PM, Suman Chowdhury sumanchowdhur...@gmail.com wrote: Dear all, I need to produce a graph Force vs MD steps.Can you please tell me how to do that. IT is very urgent.? -- *Junior