[gmx-users] Help !!

[Anton Feenstra]

Pawan wrote:

> Hi,
> 
> I am getting following warning while running grompp for energy minization.
> Warning :
>  For minimization with LINCS constraints, lincs_iter should be 4 to 8.
> Cleaning up constraints and constant bonded interactions with dummy particles
> renumbering atomtypes.
> 
> Altough i am using Lincs constraints = none in my energy minimization mdp
> file . I am using OPLS force field and i have also included tip4p.gro for
> solvation of my peptide chain through genbox.(genbox -cs tip4p.gro -cp
> box.gro -p protein.top -o gen_sol.grp.

The tip4p water model uses explicit constraints. The .mdp constraints
option tells grompp if it should convert regular bonds into constraints.


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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| \_/ \_/ | | | Tel: +31 20 44 47608 - Fax: +31 20 44 47610           |
|             | Feenstra at chem.vu.nl - www.chem.vu.nl/~feenstra/       |
|             | "If You See Me Getting High, Knock Me Down"           |
|             | (Red Hot Chili Peppers)                               |
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