AMBER Archive (2007)

Subject: AMBER: protonate

From: Christopher Gaughan (clgaughan68_at_gmail.com)
Date: Wed May 16 2007 - 10:56:37 CDT

Dear all,

I am using the protonate command to put some missing hydrogens into a pdb
file. When I do so, an error message is returned:

chrisg_at_new_mphase:~$ protonate -i g1_oct_ter_noprot.pdb >
g1_oct_ter_prot.pdb
        7000 atoms read from file
 This version only dimensioned for 7000 atoms!

Is there any way I can increase the # of atoms that can be accommodated?

Thanks,
Chris

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