[gmx-users] .trr file

Swapnil Kate swapnilkate at rocketmail.com
Thu Jun 4 18:25:57 CEST 2015


Hello all,
Actually I am doing very basic simulations on n-decane.But my problem is, I can not generate trajectory (.trr) file.Only energy minimization step is generating that but NVT and NPT simulations coulden't!!
Is there any settings in .mdp file or there is any other option avaliable?
RegardsSwapnil   


     On Thursday, 4 June 2015 5:15 PM, Swapnil Kate <swapnilkate at rocketmail.com> wrote:
   

 Hello all,
Actually I am doing very basic simulations on n-decane.But my problem is, I can not generate trajectory (.trr) file.Only energy minimization step is generating that but NVT and NPT simulations coulden't!!
Is there any settings in .mdp file or there is any other option avaliable?
RegardsSwapnil  



  


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