I am having a problem with running makeDIST_RST, specifically, the map function, even when using the tutorial files.
I have downloaded gcg_b.amb.pdb and 7col.dist and executed the command:
makeDIST_RST -upb 7col.dist -pdb gcg_b.amb.pdb -rst RST.dist
I get the following error:
# makeDIST_RST
Currently configured for up to 50000 atoms
Using MAP file /apps/amber/12/openmpi-1.6/dat/map.DG-AMBER
ERROR no map function for H2'2 GUA :data= 1 GUA H2'2 2 CYT H2'1 6.0
I have similar problems with the actual files for which I want to generate the restraints:
The first line of my constraint file is
4 HIS HD2 28 ALA HB* 6.000
# makeDIST_RST
Currently configured for up to 50000 atoms
Using MAP file /apps/amber/12/openmpi-1.6/dat/map.DG-AMBER
ERROR no map function for HB* ALA :data= 4 HIS HD2 28 ALA HB* 6.000
I get the same error if I produce the PDB file using ff10 and/or ambpdb or if I put in HB1 for HB*.
I have checked the PDB and both of these atom types exist in the designated residues.
I am not sure what the problem is, especially since I get similar errors when I use the files directly from the tutorial.
Help would be much appreciated.
Thanks very much,
Craig A. Bayse
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Received on Mon Mar 11 2013 - 11:30:03 PDT
