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[求助] MS中DPD計(jì)算custom spring的問題

MS中DPD計(jì)算custom spring的問題求教

我實(shí)驗(yàn)室的同事在用Materials Studio中的DPD模塊計(jì)算, 遇到下面的問題:

版本: Materials Studio5.0的Linux版,
問題: 用缺省的 spring來計(jì)算bonded beads , 運(yùn)行沒問題;
用自定義的 spring, 有如下錯(cuò)誤信息: "Error: Bond potential type is undefined."
是否需要重新編譯Linux下的MaterialsStudio?

如果用windows版, 則兩種情況(default spring, custom spring)都能順利運(yùn)行.

敬請(qǐng)高手幫忙.  謝謝!  DPD_par files 貼在下面:
=============================
Without_Custombond.DPD_par  :
=============================
*
*  Input file for DPD:
*

quantities
beads 2
molecules 1

bead
name A

bead
name B

interaction
repulsion A A 25.0000
dissipation A A 4.5000
wallrepulsion A 50.0000

interaction
repulsion B A 40.0000
dissipation B A 4.5000

interaction
repulsion A B 40.0000
dissipation A B 4.5000

interaction
repulsion B B 25.0000
dissipation B B 4.5000
wallrepulsion B 50.0000

molecule
name Diblock
architecture A 4 B 4

system
name DPD
comment Dpd calculation from MatStudio *date: 23-01-2015 11:31:36
temperature 1.0000
grid 10 10 10 1.0000
composition  Diblock 1.0000
spring_constant 4.0000
density 3.0000
shear off 0.2000
walls off
rngseed 2120660

simulation_control
time_steps 1000
time_interval 0.0500
status_frame 1
restart_frame 1000
density_frame 20
sample_spacing 1
xyz_frame_multiple 1
running_averages_reset

=============================================================================

==========================
With_Custombond.DPD_par  :
==========================
*
*  Input file for DPD:
*

quantities
beads 2
molecules 1

bead
name A

bead
name B

interaction
repulsion A A 25.0000
dissipation A A 4.5000
wallrepulsion A 50.0000

interaction
repulsion B A 40.0000
dissipation B A 4.5000

interaction
repulsion A B 40.0000
dissipation A B 4.5000

interaction
repulsion B B 25.0000
dissipation B B 4.5000
wallrepulsion B 50.0000

custombond
harm A A 10.0 1.0

molecule
name Diblock
architecture A 4 B 4

system
name DPD
comment Dpd calculation from MatStudio *date: 23-01-2015 11:31:36
temperature 1.0000
grid 10 10 10 1.0000
composition  Diblock 1.0000
spring_constant 4.0000
density 3.0000
shear off 0.2000
walls off
rngseed 2120660

simulation_control
time_steps 1000
time_interval 0.0500
status_frame 1
restart_frame 1000
density_frame 20
sample_spacing 1
xyz_frame_multiple 1
running_averages_reset

=============================================================================

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