subject:"\[gmx\-users\] LINCS Fatal error"

[gmx-users] LINCS Fatal error

2012-03-08 Thread rama david

Hi GROMACS specialist, I am using MARTINI forcefield, My mdp file contain following parameter constraint_algorithm = Lincs unconstrained_start = no lincs_order = 4 lincs_warnangle = 90 gromacs output is Step 0, time 0 (ps) LINCS WARNING relative constraint

Re: [gmx-users] LINCS Fatal error

2012-03-08 Thread Mark Abraham

On 9/03/2012 4:27 PM, rama david wrote: Hi GROMACS specialist, I am using MARTINI forcefield, My mdp file contain following parameter constraint_algorithm = Lincs unconstrained_start = no lincs_order = 4 lincs_warnangle = 90 gromacs output is Step 0, time 0 (ps)