Dear Amber users,
I just began to learn how to use Amber 6. I want to Use ptraj Cut
down a cubic box to a truncated octahedral shape. So, I type following
command lines according to manual:
1)ptraj spepcubetop.wat
PTRAJ: Processing input file...
Input is from standard input
2)trajin spepcubecrd.wat
PTRAJ: trajin spepcubecrd.wat
3)trajout spepoctcrd.wat
PTRAJ: trajout spepoctcrd.wat
4)truncoct :1-15 10.0 prmtop spepocttop.wat
PTRAJ: truncoct :1-15 10.0 prmtop spepocttop.wat
Mask [:1-15] represents 229 atoms
According to the output, I cannot know if these commands are run
correctly? Furthermore, I do not know how to exit ptraj (q or quit?) and I
found that output file did not produced. Would anyone give me a hand? Thanks in
advance.
Zhiyong
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Zhiyong Zhang, Ph.D student of Professor Yunyu Shi,
Laboratory of Structural Biology,
School of Life Science,
University of Science and Technology of China (USTC),
Hefei, Anhui 230027,
P.R. China.
Tel: +86-551-3603754 or +86-551-3630875
Fax: +86-551-3603754
Email: zzy_at_mail.ustc.edu.cn
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Received on Mon Dec 18 2000 - 19:59:14 PST
