AMBER Archive (2004)

Subject: Re: AMBER: Moil-view, prmtop, inpcrd question

From: Viktor Hornak (hornak_at_csb.sunysb.edu)
Date: Mon Aug 16 2004 - 14:26:27 CDT


you downloaded the Moil-view executable - just run it (make it
executable firt, e.g. chmod 755 moil-view.10.2.r10k - or consult any
unix beginner book). If you look at the link names "more carefully" it
says "MOIL-View 10.1 Full distribution (source code, manual)",
"MOIL-View 10.2 binary" (which is the one you donwloaded), etc. ...

-Viktor

opitz_at_che.udel.edu wrote:
> I downloaded the new version from the website (http://morita.chem.sunysb.edu/~carlos/viewpage/download.html), but I am not familiar with the file extension of this file. The file I downloaded was moil-view.10.2.r10k , how do I go about installing it? (or is it the same of what Viktor had said earlier?)
> ==============Original message text===============
> On Mon, 16 Aug 2004 14:45:08 EDT Viktor Hornak wrote:
>
>
> It's as Dave Case suspected: this version of Moil-view didn't recognize
> the correct format for number of atoms (notice that Moil-view thinks
> your molecule has 22 atoms, see below, while it really has 228 atoms;
> this is the issue of I5 vs. 'new' I6 format on reading). Get the new
> version of Moil-view where this problem is fixed...
>
> -Viktor
>
>
> opitz_at_che.udel.edu wrote:
>
>>Here is the text moil-view writes to the shell window:
>>
>>MOIL_View version 10
>> by Carlos Simmerling
>> carlos.simmerling_at_sunysb.edu
>> Portions were written while in the groups of:
>> Ron Elber at the University of Illinois at Chicago and
>> Peter Kollman at the University of California, San Francisco
>>
>> Color table entries, R,G,B
>> 0 0 0
>> Color table entries, R,G,B
>> 0 125 125 125
>> 1 255 0 0
>> 2 255 125 0
>> 3 255 255 0
>> 4 125 255 0
>> 5 0 255 0
>> 6 0 255 125
>> 7 0 255 255
>> 8 0 125 255
>> 9 0 0 255
>> 10 125 0 255
>> 11 255 0 255
>> 12 255 0 125
>>This system's graphics version: GL4DSLD-6.5
>> Using double buffered RGB mode
>> Using 5 red bitplanes
>> Using 5 green bitplanes
>> Using 5 blue bitplanes
>> screen size is x: 1280 y: 1024
>> Blending will be used
>>Reading MOIL-View session file version 10.00
>> read all filenames
>> Reading AMBER format coordinates
>>
>> 22 atoms present
>
> .............^^
> incorrect number of atoms here.
>
>
>
>> read coordinates
>> read velocities
>> read box coordinates 2.325412 1.984545 -9.193504
>> xmax, xmin 7.548902 3.049519
>> ymax, ymin 2.888557 -5.979939
>> zmax, zmin -5.294160 -8.554189
>>| New format PARM file being parsed.
>>| Version = 1.000 Date = 08/13/04 Time = 15:43:04
>> 1 total line objects
>> nothing picked!
>>
>>One thing I can see looking at this is that I do not have periodic
>>boundaries, but it seems to be looking for them. I am pretty sure that
>>moil-view is set not to look for boundaries with the settings I have.
>>I have not reinstalled it yet, as I wanted to see what the analysis of
>>this text would give first.
>
>
>
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