AMBER Archive (2000)

Subject: delphi

From: Pascal Bonnet (pascal_at_qorws1.uab.es)
Date: Fri Sep 15 2000 - 08:29:43 CDT

Hi everyone,

I use the MM/PBSA program to calculate the complexation energies between
a dimer of molecules and a guest.

When I run the program , I obtain this message in the error file (my
email):

The output (if any) follows:

STOP ok
rm: msms_RBCD_Rbcd.xyz.1.log non-existent
STOP ok
      2 RS faces removes, 2 with cp=1
rm: msms_RBCD_Rbcd.xyz.2.log non-existent
STOP ok
rm: msms_RBCD_Rbcd.xyz.3.log non-existent
STOP ok
rm: msms_RBCD_Rbcd.xyz.4.log non-existent
STOP ok
    Couldn't find first face trying -all option
rm: msms_RBCD_Rbcd.xyz.5.log non-existent
STOP ok
rm: msms_RBCD_Rbcd.xyz.6.log non-existent
STOP ok

What is the signification of : 2 RS faces removes, 2 with cp=1 ??? The
error comes from the DELPHI program.

I obtain very high energies as result.

Thanks

Pascal Bonnet