[gmx-users] P-LINCS

akn akafali84 at hotmail.com
Fri Nov 22 11:17:03 CET 2013


Hi,

I want to use bond constraints for my system by using domain decomposition.
Therefore parallel constraint algorithm is required. So I used P-LINCS bond
constaraint algorithms, which is the parallel version of the LINCS
algorithm. But when I choose P_lincs algorithm in grompp file it gives the
error below;


"Invalid enum 'P-LINCS' for variable constraint-algorithm, using 'Lincs'
Next time use one of: 'Lincs' 'Shake'"

How can I solve this problem?

Thanks in advance

Ayse.

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