[gmx-users] table_bonded.xvg

[He, Yang]

Hi ,

I also encountered the same problem when I use the command:

 mdrun -table table_nonbond.xvg

it shows that

Fatal error:
Library file bond_b0_b0.xvg not found in current dir nor in default
directories.
(You can set the directories to search with the GMXLIB path variable)

I wonder whether you have figured out this problem. Would you mind share your experience?

Thank you .

Yang
________________________________________
From: gmx-users-bounces at gromacs.org [gmx-users-bounces at gromacs.org] On Behalf Of A.Rzepiela [A.Rzepiela at rug.nl]
Sent: Monday, October 27, 2008 2:47 AM
To: gmx-users at gromacs.org
Subject: [gmx-users] table_bonded.xvg

Hi,

When I type :

mdrun  -tableb bond_b0.xvg -v

I get following message:

  Program mdrun, VERSION 4.0
Source code file: futil.c, line: 527

Fatal error:
Library file bond_b0_b0.xvg not found in current dir nor in default
directories.
(You can set the directories to search with the GMXLIB path variable)
-------------------------------------------------------

Thats what confused me


when I type mdrun  -tableb
It reads table_b0.xvg

Greetings

Andrzej


> Hi,
>
> According to me it does not.
> I never change the default names.
> But with the default names the table file name option is "table.xvg"
> and for a tabulated bond table number 0, it correctly opens "table_b0.xvg"
>
> Berk


>> From: A.Rzepiela at rug.nl
>> To: gmx-users at gromacs.org
>> Date: Fri, 24 Oct 2008 13:45:53 +0200
>> Subject: [gmx-users] table_bonded.xvg
>>
>> Dear Users
>>
>> In gromacs 4.0, in file force.c  in function make_bonded_tables line
>> (1007)
>>   sprintf(tabfn + strlen(basefn)  - strlen(ftp2ext(efXVG)) -
>> 1,"_%s%d.%s", tabext, i, ftp2ext(efXVG));
>>
>> produces table_bonded_bonded.xvg  instead of  table_bonded.xvg
>>
>> Greetings
>>
>> Andrzej Rzepiela
>> _______________________________________________
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