Hi everyone,
I am getting an error from chamber when attempting to use the recently
updated CHARMM lipid parameters (par_all36_lipid.prm). My understanding
from following a previous thread in the Amber mailing list archive --
"Problem with CHAMBER (for RNA molecule)" -- is that a formatting quirk
within the par_all36_lipid.prm file might be involved. However, I have
been unable to identify the precise problem.
Here is the specific error:
...
<get_bonded_params> 28 found bond CTL2 OSLP 1.430 340.000
9 15 15
<get_bonded_params> 31 found bond OSLP PL 1.600 270.000
15 16 18
<get_bonded_params> 32 found bond O2L PL 1.480 580.000
13 16 16
<get_bonded_params> 33 found bond OHL PL 1.590 237.000
14 16 17
<get_bonded_params> 42 found bond CTL1 CTL2 1.538 222.500
8 9 10
<get_bonded_params> 44 found bond CTL2 CTL2 1.530 222.500
9 9 12
<get_bonded_params> 45 found bond CTL2 CTL3 1.528 222.500
9 10 13
At line 643 of file psfprm.F90
Fortran runtime error: Bad value during floating point read
Thanks in advance for any help!
Sally
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Received on Tue Feb 19 2013 - 13:30:02 PST
