[gmx-users] double precision

[hugo verli]

Hi Erik,

first thanks for the answer. However, I did not obtain this message. I have
only:


                             :-)  mdrun  (-:

I looked too to the following message:

Back Off! I just backed up emlog.log to #emlog.log#
Getting Loaded...
Reading file monomero.tpr, VERSION 3.1 (single precision)

So I believer I am not in double precision. I used the following procedure to
install gromacs3.1:

./configure --enable-double
./make
./make install
./make links

I am using Mandrake 8.0 Linux distribution. Is there some error in the
instalation procedure or the error can be with the linux distribution?

Thanks in advance for your help,

Hugo.


> 
> 
> Hi Hugo,
> 
> When you run any of the gromacs programs (including mdrun) in double
> precision it will add this to the program name that appears just after
> the GPL license text both in the output and log file, e.g:
> 
> 
>                     :-)  mdrun (double precision) (-:
> 
> 
> You can also check it at analysis time - when the tools open a file it
> should say that it is reading a double precision file.
> 
> (If it's important you should check both, since a single precision
> program can read a double precision file and vice versa)
> 
> Cheers,
> 
> Erik
> 
> 
> 
> 
>