[gmx-users] File pull.ppa

[mario orsi]

Here's a .ppa file I used some time ago:

verbose            = yes
runtype            = afm
group_1            = a_2587
reference_group    = a_1
reftype            = com
pull_dim            = N N Y

afm_rate1                = 0.0001 ;nm/ps
; Force constants in kJ/(mol*nm^2)
afm_k1                   = 2500
; Directions
afm_dir1                 = 0.0 0.0 1.0
afm_init1                = 0.0 0.0 13.594376

ciao,
mario


On Wednesday 01 December 2004 14:33, Isabella Daidone wrote:
> Hi,
> does someone have a pull.ppa file to perform AFM pulling?
> Thank u.
>
> Isabella
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-- 
Mario Orsi 
orsi at soton.ac.uk
J.W. Essex group
School of Chemistry
Southampton University 
Highfield - Southampton
SO17 1BJ - United Kingdom