I have installed AmberTools 1.4 and the bugfixes. Everything works fine
in ptraj except the rms function. This is my input file (rms.in) for an
81-residue protein:
!#/bin/csh
ptraj file.prmtop << EOF
trajin fileprod.mdcrd
reference cryst.pdb
rms first mass out out.rms :1-81.CA time 1.0
EOF
When I run the script to calculate the rms values vs. time I get the
following error message:
ERROR in safe_malloc: Error in alloc of -8 bytes
Can someone tell me what this error message means and how to correct it?
Thanks!
John
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Received on Tue May 25 2010 - 09:00:08 PDT
