Re: [gmx-users] Use of LINCS during production run

2017-04-17 Thread Justin Lemkul
On 4/14/17 1:55 PM, Saumyak Mukherjee wrote: Dear users, Can you please inform me, which LINCS condition (h-bond, all bonds etc.) should be used during final production run to get the most realistic results? The constraints should be assigned based on what the force field prescribes,

[gmx-users] Use of LINCS during production run

2017-04-14 Thread Saumyak Mukherjee
Dear users, Can you please inform me, which LINCS condition (h-bond, all bonds etc.) should be used during final production run to get the most realistic results? Thanks & regards, Saumyak -- *Saumyak Mukherjee* Junior Research Fellow Prof. Biman Bagchi's