[gmx-users] mdp again

[K.A. Feenstra]

nanyu101 wrote:
> Hi,everyone,
>   Every time  I set define =-DPOSRE /Flex_SPC,the system told me that the
 > coordinate didn't match.The coordinates in top file is zero.But if I didn't
 > set any parameter to define.the system told me that the coordinates in top
 > file is fewer than gro file.Would somebady resolve my puzzle?
 > Any detailed is recommended?

Is that what you literally had in your .mdp file? Like the following line:
define =-DPOSRE /Flex_SPC
That wont work. Sorry that the error messages of grompp can be a bit
incomprehensible at times. What you should do in stead is:
define = -DPOSRE -DFlex_SPC


-- 
Groetjes,

Anton
  ________ ___________________________________________________________
|        | Anton Feenstra                                            |
| .      | Dept. of Pharmacochemistry - Vrije Universiteit Amsterdam |
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