AMBER Archive (2007)

Subject: Re: AMBER: DISAVE value1

• Next message: Ross Walker: "RE: AMBER: RST can not be opened"
• Previous message: Wang, Xuelin: "AMBER: PDB file with charge and size in mm_pbsa calculations"
• In reply to: Kyle L. Brown: "AMBER: DISAVE value1"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]

On Wed, Mar 28, 2007, Kyle L. Brown wrote:
>
> On page 109 of the amber 9 manual, it says the default value
> for the exponential decay constant is 1.0D+6. What does the "D" mean?

"D" refers to a double precision floating point variable (in Fortran). This
is the same as 10**6 (one million), which is effectively infinite.

> want a decay constant on the order of pico seconds. My input file is as
> follows where DISAVE value1 is 20e-12 for my time constant:

Input times in Amber are already in picoseconds, so you don't want to add
the additional 10*(-12) factor.

....hope this helps...dac

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

• Next message: Ross Walker: "RE: AMBER: RST can not be opened"
• Previous message: Wang, Xuelin: "AMBER: PDB file with charge and size in mm_pbsa calculations"
• In reply to: Kyle L. Brown: "AMBER: DISAVE value1"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]