In your mdin file you specify DISANG=RST ....
However, you say that you have an "RST.bb" file ... So obviously the
name of your file is different than the one you specify in your mdin
file ... Of course the program cannot read any RST file because you dont
have one ..... (Your file is called RST.bb so that is what you should
give in the mdin file)...
As I told you before, If I were you, I would really go through the
tutorial before doing anything else .... Otherwise you'll keep on
writing 100 emails per day and and people will not answer you anymore ...
Another advice from me is that when you get obvious errors like the one
"Unit 33 Error on OPEN: RST", please double check before sending an
email. This error tells you absolutely clearly that there is something
wrong with your RST file .... So, instead of writing emails immediately,
you could first double check your RST file, the name of it and things
like this. After that if you didnt find any solution, go the AMBER list
archive and search for your error
(
http://amber.ch.ic.ac.uk/archive/).... If this will not help either,
than feel free to send emails to the list ...
Everybody is really helpful here and me personally I have a lot to thank
for to all the people here, but during the years I learnt that it is a
better idea to really try to fix things yourself and send emails only
when you really dont find a solution for your problem .... From your
timing, it looks like you run a script and then immediately you send us
an email ....
Now, having said this I will help you get started .... Make sure the
name of your RST file is the same in your working directory and in your
mdin script and let me know if it works ... If it still doesnt, than
what I can do is take your topology and initial coordinates + the RST
fiile and create an input file for you and test it on my machine. This
can serve as a starting point ... For that, you would need to send me
personally these files ...
Cheers
vlad
deepti nayar wrote:
> hello all
>
> I tried the script but it is giving the following error.,
>
> [root.Bic11 exe]# sander -O -i min.in -o try4.min.out -c newdelphe.x
> -p delprmtop -r try4.min.x
>
> Unit 33 Error on OPEN: RST
>
>
>
> as far as i know there is no problem with my RST.bb file and it is in
> the same directory where i am currently working.
> I a attaching my min.in file
>
> can anyone tell me whats going wrong her
>
> thanks
--
----------------------------------------------------------------------------
Dr. Vlad Cojocaru
EML Research gGmbH
Schloss-Wolfsbrunnenweg 33
69118 Heidelberg
Tel: ++49-6221-533266
Fax: ++49-6221-533298
e-mail:Vlad.Cojocaru[at]eml-r.villa-bosch.de
http://projects.villa-bosch.de/mcm/people/cojocaru/
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EML Research gGmbH
Amtgericht Mannheim / HRB 337446
Managing Partner: Dr. h.c. Klaus Tschira
Scientific and Managing Director: Prof. Dr.-Ing. Andreas Reuter
http://www.eml-r.org
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Received on Sun Apr 01 2007 - 06:07:37 PDT
