Thank you for your reply,
I am asking you again same question, EXTREMELY SORRY for my stupidity,
In step six , I unable to differentiate npt and production run by
mdp file as usualy we find difference by define term,
I think I get meaning upto reason why to use -DPOSRES_B,
but I want to know if
On 5/24/12 8:19 AM, rama david wrote:
Thank you for your reply,
I am asking you again same question, EXTREMELY SORRY for my stupidity,
In step six , I unable to differentiate npt and production run by
mdp file as usualy we find difference by define term,
I think I get meaning upto reason
Thank you Justin for these correct explanation
Its really clear my lot of queries..
For the tutorial, NPT is conducted with restraints on all protein heavy
atoms. The production runs are conducted by restraining only one chain for
practical reasons.
These is my question ;
If we are
On 5/24/12 6:35 AM, rama david wrote:
Thank you Justin for these correct explanation
Its really clear my lot of queries..
For the tutorial, NPT is conducted with restraints on all protein heavy
atoms. The production runs are conducted by restraining only one chain for
practical
Hi Gromacs Friends,
I am performing justin tutorial for umbrella sampling ..
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/umbrella/05_pull.html
I encounter with following problem while using the disatances.pl script
1. After command perl distances.pl I got following
On 5/23/12 3:48 PM, rama david wrote:
Hi Gromacs Friends,
I am performing justin tutorial for umbrella sampling ..
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/umbrella/05_pull.html
I encounter with following problem while using the disatances.pl
Thank you justin..
I solve script problem..
I have another query ..
As mention in tutorial , In step six , we have to do brief NPT
equilibration
npt_umbrella.mdp link is
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/umbrella/Files/npt_umbrella.mdp
After these we have
On 5/24/12 7:11 AM, rama david wrote:
Thank you justin..
I solve script problem..
I have another query ..
As mention in tutorial , In step six , we have to do brief NPT equilibration
npt_umbrella.mdp link is
Hi Justin,
Thank you for your Reply
Before start tutorial I read your paper, It help me
a lot to understand the concept of umbrella sampling...
But truly I not understand the part in six step
why to use define -DPOSRES_B and not -DPOSRES,
I think I miss it ...
I will be a very greatfull to
On 5/24/12 7:40 AM, rama david wrote:
Hi Justin,
Thank you for your Reply
Before start tutorial I read your paper, It help me
a lot to understand the concept of umbrella sampling...
But truly I not understand the part in six step
why to use define -DPOSRES_B and not -DPOSRES,
I think I
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