Dear AMBER users
I am calculating binding energy using mm_pbsa.pl following the tutorial "Perl Script mm_pbsa.pl
http://ambermd.org/tutorials/advanced/tutorial3/section3.htm".
It gave me errors: "input conversion error" and "Close TO failed: -1/Broken pipe"
----
forrtl: severe (64): input conversion error, unit 5, file /proc/82762/fd/0
Image PC Routine Line Source
libifcore.so.5 00002ABEDCC36C20 Unknown Unknown Unknown
make_crd_hg 000000000040554F Unknown Unknown Unknown
make_crd_hg 0000000000400E16 Unknown Unknown Unknown
libc.so.6 000000351541ED1D Unknown Unknown Unknown
make_crd_hg 0000000000400D09 Unknown Unknown Unknown
Close TO failed: -1/Broken pipe
----
I checked MM-PB(GB)/SA error messages:
[Closing pipe to "make_crd_hg" program failed. The provided trajectory might be in a format that cannot be processed by "make_crd_hg".]
If I use .mdcrd file generated by Amber 12, mm_pbsa.pl works. I do not know why .mdcrd generated by Amber 16, mm_pbsa.pl did not work while mm_pbsa.py works.
Can someone help me to solve this problem?
Thanks,
Wu Xu
Department of Chemistry
University of Louisiana at Lafayette
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sat Mar 03 2018 - 08:30:03 PST