[gmx-users] mkyaw exectable file for TIP4P

Yuhua Song yhsong at ccb.wustl.edu
Mon Nov 24 23:30:01 CET 2003

Hi, David:

> you can compile it yourself in the gmx/src/contrib directory.
> just go to the directory and write
> make mkyaw

When I compile make mkyaw, it show the error : **** missing separator. Stop.
I do not know what it is happen here

> if you don't have write permissions there, you can copy the entire
> directory to your home dir:
> cd gmx/src
> cp -r contrib ~
> cd contrib
> make mkyaw
> Alternatively you can use the attached perl script.
How this perl script can work. I change the perl script to exectable. I have
a file containing the crystall water information. I did not make this perl
script work for my *.gro file to get the tip4P water. Could you please give
me more hint?



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