AMBER Archive (2007)

Subject: AMBER: restraint command not taken

From: deepti nayar (deepti.icgeb_at_gmail.com)
Date: Mon Apr 02 2007 - 04:54:44 CDT

hi

Thanks for all the prevous guidance but i need to ask something.

I am doing simulations of a dimer. howeever, i want to restrain
movement of few atoms during simulation.but when i look at the output
file it seems to me as if the command is not accepted. and so the
atoms are not restrained.

my input file and output file are attached.

please guide me

thanks
deepti


  • application/octet-stream attachment: anneal.in

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu