AMBER Archive (2004)

Subject: Re: AMBER: "Total vdw box size" information is gone

From: Jiten (jiten_at_postech.ac.kr)
Date: Mon Jun 28 2004 - 09:45:39 CDT

Hello,

If you wish to minimize/MD with periodic boundary conditions - I hope it would be better for you to use solvateoct which typically gives a more uniform distribution of solvent around the solute.

Best wishes,

Jiten
  ----- Original Message -----
  From: Helios Chen
  To: amber_at_scripps.edu
  Sent: Sunday, June 27, 2004 4:57 PM
  Subject: AMBER: "Total vdw box size" information is gone

  Dear all, I used "solvatecap" command to solvate a protein and everything is o.k when I save the the topology and coordinate files by "saveAmberParm" command. But I have a question, why the "Total vdw box size" information are not appeared at last line in my coordinate file. I cann't do minimize by Sander because of lacking these. Are there any method to get them?
  Thanks in advance.

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