Hi Mark
I transfered all the table files with the dos2unix tool, and it worked.
Thank you so much!
Best regards!
2012-08-27
toby1024
Message: 2
Date: Mon, 27 Aug 2012 08:31:55 +1000
From: Mark Abraham
Subject: Re: [gmx-users] User specified potential functions
To: Discussion list for
On 25/08/2012 10:28 PM, toby1024 wrote:
> Dear Uses:
> I am using "User specified potential functions" with Gromacs-4.5.4. According
> to the manual, I wrote a FORTRAN program to generate the table.xvg file. When
> I ran mdrun, the error came out as below:
>
> ..
> Only 7 columns on line
Dear Uses:
I am using "User specified potential functions" with Gromacs-4.5.4. According
to the manual, I wrote a FORTRAN program to generate the table.xvg file. When I
ran mdrun, the error came out as below:
..
Only 7 columns on line 4199 in file table.xvg
Only 7 columns on line 4200 in fil
Dear all:
I would like to use the User specified Potential Function to implement
in Gromacs the modified force field from Winkler et al. [Journal of
Chemical Physics, Vol. 120, No. 1, (2004) pp: 384-393] but I'm not sure
I understand very well how this feature works in Gromacs for LJ type
force fi
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