AMBER Archive (2007)

Subject: Re: AMBER: problems visualizing mdcrd in VMD

From: Mattia Mori - CERM (mori_at_cerm.unifi.it)
Date: Wed Oct 31 2007 - 06:59:24 CST


Perfect, the system is working fine!!
thank you very much Vlad

Regards,

Mattia


Vlad Cojocaru ha scritto:

Mattia,

Changing the extension of the file will not help ....

When you load the molecule from the GUI, you need to choose the type "AMBER Coordinates with periodic box"

If you load via a tcl script, the commands should be (you may have any file extensions as you wish):

"mol new [file].parm type parm7 "
"mol addfile [file].mdcrd type crdbox"

assuming you are using AMBER7 or later (if you are using AMBER6 the fitst command should be "mol new [file].parm type parm")

vlad

Mattia Mori - CERM wrote:

Dear all,
when I try to visualize trajectory in VMD programs I got great results only when I impose in my sander input file ntb=0.
When I use ntb=2 and I load prmtop and mdcrd in VMD, I get a disaster and it's not possible to recognize any molecule in the animation, every bond is stretched to several amstrong.
How can I visualize trajectory when I impose ntb=2?
There are others useful visualization programs?

Thanks in advance for your help.

Mattia Mori

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Mattia Mori, PhD Student
CERM - Centro di Risonanze Magnetiche
via L. Sacconi 6,,
50019 Sesto Fiorentino, FI
fax (+39) 055 4573914
tel (+39) 055 4573912
www.cerm.unifi.it

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-- 






**-**-**-**-**-**-**-**-**-**-**-**-**
 
Mattia Mori, PhD Student
CERM - Centro di Risonanze Magnetiche
via L. Sacconi 6,,
50019 Sesto Fiorentino, FI
fax (+39) 055 4573914
tel (+39) 055 4573912
www.cerm.unifi.it
----------------------------------------------------------------------- The AMBER Mail Reflector To post, send mail to amber@scripps.edu To unsubscribe, send "unsubscribe amber" to majordomo@scripps.edu