Hi,
I am new to Amber software and want to simulate a* helical peptide *in
water. I am trying to protonate my peptide in xleap using following command:
protonate -k -d $AMBERHOME/dat/PROTON_INFO -i pcpep_cap1.pdb -o pc_prot.pdb
-l pcprot.out
and i tried this also
$AMBERHOME/exe/protonate -k -d $AMBERHOME/dat/PROTON_INFO -i pcpep_cap1.pdb
-o pc_prot.pdb -l pcprot.out
but am getting syntax error.
What should i do?
please help.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Mar 13 2015 - 04:30:03 PDT
