[gmx-users] large number of molecules

Dallas B. Warren Dallas.Warren at pharm.monash.edu.au
Mon Mar 8 22:57:12 CET 2010

You are going to have to provide a lot more details than that if you
want some help.


What is "wrong results"?  What is your input (copy and paste some
commands in)?  What is the output (copy and paste)?  What makes you
think the results are "wrong"?  In what situations are they "right"? ...
and there are a lot more questions that could be asked ......


Catch ya,

Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.warren at pharm.monash.edu.au
+61 3 9903 9167
When the only tool you own is a hammer, every problem begins to resemble
a nail. 


From: gmx-users-bounces at gromacs.org
[mailto:gmx-users-bounces at gromacs.org] On Behalf Of ksm tprk
Sent: Tuesday, 9 March 2010 8:33 AM
To: gromacs users
Subject: [gmx-users] large number of molecules




I simulate carbon nanotube and basically I follow up

But when I increase the number of molecules (like 15000) , it gives me
wrong results.

Do you know why this is happen?


Thank you,




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