Dear modellers,
I have added a large residue to the modeller topology - and
parameter-files. When I try to read the modified topology file, modeller
stops execution with the error message "increase mapres".
Does this mean that my new residue contains too many atoms? (I guess so,
because deleting a part of the new residue leads to normal execution of
READ_TOPOLOGY).
I need to consider the complete residue.
What can I do?
I would like to add another question:
So far I have used a DEC Alpha workstation for my work with modeller,
but
I could get access to a SGI Origin 2000 parallel computer with 46 Mips R
10000 processors (Operating system: Irix 6.5.7). Does a version of
modeller exist which is suitable for this machine. Or do I have to
recompile the program for this computer? If so, is it worth the effort
(I am not very experienced in that)?
Could I perhaps solve the problem described above by recompilation of
modeller?
Any help is very much appreciated.
Oliver.
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Oliver Hucke (Dipl. Chem.)
Institut fuer Physikalische Chemie II
Universitaet Freiburg
Albertstr. 23a
79104 Freiburg
Germany
Tel.: ++49-761-203-6179
Fax : ++49-761-203-6189
email:
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