Re: [gmx-users] initial temperature ridiculously high

GZ Zhang wrote: Hi, ALL I met a bizarre in a NVT simulation in which the initial temperature is ridiculously high. Even though I specify the initial temperature to be 200 K. ; GENERATE VELOCITIES FOR STARTUP RUN gen_vel = yes gen_temp = 200.0 gen_seed

Re: [gmx-users] Initial Temperature

Thanks Dallas and Mark for your replies. Best regards, George Mark Abraham wrote: George Abadir wrote: Hi, When I do a Berendsen temperature coupling , I set the reference tepmerature to 300K. However, the log file says the initial temperature is 0K. Why does this happen and how can one

RE: [gmx-users] Initial Temperature

See the Chapter 7.3 of the manual, "Run Parameters". In particular "7.3.16 Velocity Generation", page 146. Catch ya, Dr. Dallas Warren Lecturer Department of Pharmaceutical Biology and Pharmacology Victorian College of Pharmacy, Monash University 381 Royal Parade, Parkville VIC 3010 [EMAIL PROTE

Re: [gmx-users] Initial Temperature

George Abadir wrote: Hi, When I do a Berendsen temperature coupling , I set the reference tepmerature to 300K. However, the log file says the initial temperature is 0K. Why does this happen and how can one control the initial temperature? Temperature is a function of molecular velocities