[AMBER] Minimization input

From: Sadaf Rani <sadafrani6.gmail.com>
Date: Wed, 29 May 2019 11:29:46 +0100

Dear Amber users
I am trying to minimise my protein with following input:-

Minimization with restraint on heavy atoms except water and hydrogen



  irest=0, ntx=1,

  maxcyc=2000, ncyc=100,



  ntb=2, ntp=1,


  restraintmask= [:* & !.H=] &![WAT| .Na+=],



  However every time I am receiving error

' error in reading namelist cntrl'
Can any one suggest me what is wrong in syntax please?

Thank you
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Received on Wed May 29 2019 - 04:00:02 PDT
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