Thanks a lot to all of you, especialy Florian and Chris. My problem has been
solved.
Best regards,
Alok
- Original Message -
From: <[EMAIL PROTECTED]>
To:
Sent: Tuesday, September 05, 2006 4:35 AM
Subject: Re: [gmx-users] mdrun_hole problem again
- you didn't d
- you didn't do an energy minimization
- you used hz1 0 and I used hz1 1.0
- you didn't include make hole options hr,hx,hy
*** Somebody already suggested nstlog = 1 and nstenergy = 1, please try that!!!
In fact make everything 1 (nstxout,nstxtcout,...)
Here is what worked for me with the same POP
Dear All,
two days back I posted a question regarding mdrun-hole but my
problem has still not ben solved,so I am writing it again in more
elaborate form. I appreciate any comment on my procedure.
In sort my problem is, I am not getting any output from modified
mdrun_hole program.
Here ar
Thanks Florian,
As you have replied, Yes I had activated logging (that
means I had the molsurf_log option in "for_hole.mdp" file .
But it is not creating my specified log file and also the
normal *.log file in run.mdp file)
As you had suggested I just tried with
nstlog
hi,
On Friday 01 September 2006 17:16, [EMAIL PROTECTED] wrote:
> Dear All,
>
> This question is regarding the modified mdrun program i.e mdrun_hole that
> is used for creating hole in the lipid bilayer to insert a protein into it.
>
> When I am trying to run the following command:
>
> mdrun_hole
Dear All,
This question is regarding the modified mdrun program i.e mdrun_hole that is
used for creating hole in the lipid bilayer to insert a protein into it.
When I am trying to run the following command:
mdrun_hole -v -hole -holep for_hole.mdp -s run.tpr -o run.trr -x run.xtc
-c after_run.gro
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