AMBER Archive (2009)

Subject: [AMBER] error reading namelist cntrl

From: Shaikh Abdul R S Ramaju (smasarsr_at_nus.edu.sg)
Date: Wed Nov 11 2009 - 00:51:45 CST

Dear Amber Users,

 

I am doing QMMM minimization. I am getting following error "error in
reading namelist cntrl". I tried to change' /' with '&end' but still it
shows same error.

Please let me know what is wrong in my input file.

 

initial minimisation prior to QMMD

 &cntrl

 imin=1, maxcyc=1000, ncyc=100,

 ntb=1, ntc=2, ntf=2,

 cut=8.0,

 ifgnt=1

/

 &qmmm

 qmmask=':1-20',

 qmcharge=0,

 qmtheory='DFTB',

 dftb_disper=1,

 dftb_chg=0,

 qmshake=1,

 qm_ewald=1, qm_pme=1,

/

 

Thanks

Abdul Rajjak

 

 

 

 

_______________________________________________
AMBER mailing list
AMBER_at_ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber