Re: [gmx-users] About Usage of Constraints

2012-10-07 Thread Justin Lemkul
On 10/7/12 12:24 AM, vidhya sankar wrote: Dear justin Thank you for your previous reply I am running NPT Equlibration at 20 ps with dt 0.0002 in 10 steps Without usage of Lincs Algorithm and its related paramete

[gmx-users] About Usage of Constraints

2012-10-06 Thread vidhya sankar
Dear justin Thank you for your previous reply     I  am running NPT Equlibration  at 20 ps  with dt 0.0002 in 10 steps  Without usage of  Lincs Algorithm and its related parameters it runs Successfully . But When I  Increase