ou any
> suggestion about my problem, please?
>
> Best Regards
> Sara
>
>
>
> rom: Tsjerk Wassenaar
> To: mohammad agha ; Discussion list for GROMACS users
>
> Sent: Wednesday, January 11, 2012 1:38 PM
>
> Subject: Re: Fw: [g
ut my problem, please?
>
> Best Regards
> Sara
>
>
>
> rom: Tsjerk Wassenaar
> To: mohammad agha ; Discussion list for GROMACS users
>
> Sent: Wednesday, January 11, 2012 1:38 PM
>
> Subject: Re: Fw: [gmx-users] trjconv
;, line 68, in
> o = open(sys.argv[2],"w")
> IndexError: list index out of range
>
> May I ask you to help me, please?
>
> Best Regards
> Sara
>
> From: Tsjerk Wassenaar
> To: mohammad agha ; Discussion list for GROMACS
> o = open(sys.argv[2],"w")
> IndexError: list index out of range
>
> May I ask you to help me, please?
>
> Best Regards
> Sara
>
> From: Tsjerk Wassenaar
> To: mohammad agha ; Discussion list for GROMACS users
>
>
to help me, please?
Best Regards
Sara
From: Tsjerk Wassenaar
To: mohammad agha ; Discussion list for GROMACS users
Sent: Wednesday, January 11, 2012 12:54 PM
Subject: Re: Fw: [gmx-users] trjconv in martini
Hi Sara,
That can only happen if the input file is
Tsjerk Wassenaar
> To: mohammad agha ; Discussion list for GROMACS users
>
> Sent: Saturday, December 31, 2011 3:41 PM
>
> Subject: Re: Fw: [gmx-users] trjconv in martini
>
> Hi Sara,
>
>> # Extract the first part of the trajectory
>> trjconv -s md.tpr -f md.trr
- Forwarded Message -
From: mohammad agha
To: "gmx-users@gromacs.org"
Sent: Tuesday, January 10, 2012 9:08 PM
Subject: Re: Fw: [gmx-users] trjconv in martini
Hi Tsjerk,
I know that my question is silly but please help me.
I installed python2.5 on my system,
k you to help me, Please?
Best Regards
Sara
From: Tsjerk Wassenaar
To: mohammad agha ; Discussion list for GROMACS users
Sent: Saturday, December 31, 2011 3:41 PM
Subject: Re: Fw: [gmx-users] trjconv in martini
Hi Sara,
> # Extract the first part of the trajector
Hi Tsjerk,
Thank you very much from your help.
Best Regards
Sara
From: Tsjerk Wassenaar
To: mohammad agha ; Discussion list for GROMACS users
Sent: Saturday, December 31, 2011 3:41 PM
Subject: Re: Fw: [gmx-users] trjconv in martini
Hi Sara,
> # Extr
Hi Sara,
> # Extract the first part of the trajectory
> trjconv -s md.tpr -f md.trr -n index.ndx -o 1a.xtc -e 1
That should be -e 19 :) But you can also use -e 20. Probably
that is better. I first thought it'd be better to avoid a double
frame, but since trjcat is used to combine the
ce again your
workflow. I hope work this time.
I thank you very very much again.
Best Regards
Sara
From: Tsjerk Wassenaar
To: mohammad agha ; Discussion list for GROMACS users
Sent: Saturday, December 31, 2011 2:18 PM
Subject: Re: Fw: [gmx-users] trjconv in mart
agha ; Discussion list for GROMACS users
>
> Sent: Saturday, December 31, 2011 11:42 AM
> Subject: Re: Fw: [gmx-users] trjconv in martini
>
> Hi Sara,
>
> Please find the script as attachment. When saved, you have to make it
> executable using
>
> chmod +x xtcrev.py
>
#!/usr/bin/env python
> May I ask you to help me?
>
> Best Regards
> Sara
>
>
> From: Tsjerk Wassenaar
> To: mohammad agha ; Discussion list for GROMACS users
>
> Sent: Friday, December 30, 2011 8:06 PM
> Subject: Re: Fw: [gmx-use
Hi Tsjerk,
Thanks for your reply, yas, I did this too!
Best Regards
Sara
From: Tsjerk Wassenaar
To: mohammad agha ; Discussion list for GROMACS users
Sent: Saturday, December 31, 2011 11:42 AM
Subject: Re: Fw: [gmx-users] trjconv in martini
Hi Sara
n
> May I ask you to help me?
>
> Best Regards
> Sara
>
>
> From: Tsjerk Wassenaar
> To: mohammad agha ; Discussion list for GROMACS users
>
> Sent: Friday, December 30, 2011 8:06 PM
> Subject: Re: Fw: [gmx-users] trjconv in martini
-users] trjconv in martini
Hi Sara,
Make sure the first line of the script is:
#!/usr/bin/env python
Cheers,
Tsjerk
On Dec 30, 2011 1:25 PM, "mohammad agha" wrote:
>
>
>- Forwarded Message -
From: mohammad agha
To: Tsjerk Wassenaar --
>gmx-users mailing list gmx-u
Hi Sara,
Make sure the first line of the script is:
#!/usr/bin/env python
Cheers,
Tsjerk
On Dec 30, 2011 1:25 PM, "mohammad agha" wrote:
- Forwarded Message - From: mohammad agha To:
Tsjerk Wassenaar http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at
ht
- Forwarded Message -
From: mohammad agha
To: Tsjerk Wassenaar
Sent: Friday, December 30, 2011 3:16 PM
Subject: Re: [gmx-users] trjconv in martini
Hi Tsjerk,
Thank you very much from your reply, I have a problem about ./xtcrev.py 1a.xtc
> 1a-rev.xtcI did ./xtcrev.py 1a.xtc > 1a-r
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