From: xiaojing gong (gongxiaojing1981_at_yahoo.com.cn)
Date: Mon Mar 20 2006 - 20:33:42 CST
Hi, Arneh
Thank you for your advice. I solve the problem by following your suggestions.
BUT I still have some questions:
1 When I use the restart.coor.file and restart.vel.file, the equilibrium still can not run. the same rattle confine problem occures. while I use the coor.file and vel.file, everything is ok. I just wonder why this happens ?
2 In the Stdoutput, the pressure is negtive and is not equal to 1 bar.
ENERGY: 13350 4781.6757 18968.8369 9052.3524 598.1867
-758936.3162 364.8155 555.3891 0.0000 42855.1207
-681759.9392 310.7536 -681642.5152 -681647.3890 311.9845
-9061.0676 136.1827 711386.5909 30.7744 31.0398
ENERGY: 13400 4881.2878 18900.1435 9103.1812 572.2294
-139659.5837 258.3293 552.3895 0.0000 42908.9760
-62483.0471 311.1441 -62365.5618 -62372.6504 312.5284
-9232.1798 24.8402 710915.9770 -57.3121 -57.2407
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