[gmx-users] sw water problem

[Anton Feenstra]

Rongliang Wu wrote:

> Hello gmx-users,
>               i used grompp intending to minimize the SW water i made, but i get error like:
> Fatal error:
> Found a second defaults directive, file "/home/wurl/gromacs/share/gromacs/top/sw.itp", line 36
> 
> 
>               i looked in sw.itp file but line 36 is:
> [ defaults ]
> LJ	Geometric 
> 
>               do i have to remove "geometric"?

Make this line a comment by putting a ';' in front of it, like:
[ defaults ]
; LJ	Geometric



-- 
Groetjes,

Anton

* NOTE: New Affiliation, Phone & Fax numbers (below) *
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|  _   _  ___,| K. Anton Feenstra                                     |
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