Dear AMBER users,
I'm a newcomer to LINUX systems and AMBER. I have the following problem:
I'm going to perform replica exchange simulations as implemented in AMBER8. I did the following things to compile AMBER8 in an appropriate way:
after serial installation:
1.
cd AMBERHOME/src
make clean
../configure -mpich -ifc7
make AMBERBULDFLAGS='-DREM' parallel
2.
cd AMBERHOME/src
make clean
../configure -mpich -ifc7
in config.h I've set AMBERBUILDFLAGS to -DREM
make parallel
In both cases, I've got the message: "Installation of Amber (parallel) completed". However, when I tried to run REMD simulations, I've got the following: "mdfil: Error unknown flag: -rem".
I have claster consisted of Pentium 4 3.2 gHz workstations under SuSe Linux OS.
I would be glad for any help. Thanks in advance.
Best regards,
Sergey
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Received on Tue Nov 29 2005 - 13:53:00 PST
