AMBER Archive (2002)

Subject: Re: Anal in AMBER7

From: Ting Wang (ting.wang_at_eml.villa-bosch.de)
Date: Tue May 21 2002 - 07:48:48 CDT

Dear David,

Many thanks for your quick answers. Here is another question:

In previous version of Anal, the group definition "RES -1 386" was used
for calculating the interaction energies between each residue in the 386
residues.

But Anal in Amber7 does not accept this definition. Is it right?

How can I do the same job by Anal7?

Thanks a lot,

Ting

David Case wrote:
> On Sun, May 19, 2002, Ting Wang wrote:
>
>
>>
>>I have a question about Anal in AMBER7.
>>
>>When I tried to use it, I got the following error message:
>>
>> FATAL: Topology and coord files do not match
>
>
> Yes, you are correct...anal does not correctly read in the new format for
> restart files. You will need to apply bugfix.12 at the amber web site.
>
> Thanks for pointing out this problem.
>
>
>>
>>I noticed that the first line of the output file try.out is "Amber 5.0
>>ANAL:"
>
>
> This was just an oversight: the header was not updated....
>
> ...regards...dave case
>