implicit solvent job error in NAMD2.8b1

From: harish vashisth (harish.vashisth_at_gmail.com)
Date: Mon Apr 04 2011 - 15:47:33 CDT

Dear all,
   I am sorry if anyone is getting this email twice. I have been trying to
use new implicit solvent feature in recently released NAMDv2.8b1 (64 bit
Linux_X86_64 binary and ran using ++local option). I tried default options
suggested in NAMD user's guide (
http://www.ks.uiuc.edu/Research/namd/2.8b1/ug/node31.html), and have tried
both with and without PBCs, but I start getting some weird output right at
the beginning of these runs. No dcd files are updated after two or three
frames. The kind of output I get during initial minimization steps looks
like as given below.
The input files for this run can be downloaded from the following link:

       http://sitemaker.umich.edu/harish.vashisth/home

 Any help would be great. Thank you so much.

==============================
====================================================================================================================
MINIMIZER SLOWLY MOVING 1 ATOMS WITH BAD CONTACTS DOWNHILL
PRESSURE: 27 2198.64 98.2676 21.3003 98.2676 2114.29 -160.482 21.3003
-160.482 2326.12
GPRESSURE: 27 nan nan nan nan nan nan nan nan nan
ENERGY: 27 142506.0681 34522.7769 1025.3743
51.7267 -958225.7788 9999999999.9999 0.0000
0.0000 0.0000 9999999999.9999 0.0000 9999999999.9999
9999999999.9999 0.0000 2213.0139 9999999999.9999
555899.7610 2213.0139 9999999999.9999

MINIMIZER SLOWLY MOVING 1 ATOMS WITH BAD CONTACTS DOWNHILL
PRESSURE: 28 2198.99 97.9171 21.2457 97.9171 2116.46 -161.112 21.2457
-161.112 2326.4
GPRESSURE: 28 nan nan nan nan nan nan nan nan nan
ENERGY: 28 142507.7791 34521.3553 1024.9075
50.3971 -958456.7341 9999999999.9999 0.0000
0.0000 0.0000 9999999999.9999 0.0000 9999999999.9999
9999999999.9999 0.0000 2213.9492 9999999999.9999
555899.7610 2213.9492 9999999999.9999

MINIMIZER STARTING CONJUGATE GRADIENT ALGORITHM
LINE MINIMIZER REDUCING GRADIENT FROM nan TO nan
LINE MINIMIZER BRACKET: DX 0 0 DU 0 0 DUDX nan nan nan
MINIMIZER RESTARTING CONJUGATE GRADIENT ALGORITHM
LINE MINIMIZER REDUCING GRADIENT FROM nan TO nan
LINE MINIMIZER BRACKET: DX 0 0 DU 0 0 DUDX nan nan nan
MINIMIZER RESTARTING CONJUGATE GRADIENT ALGORITHM
LINE MINIMIZER REDUCING GRADIENT FROM nan TO nan
===============================================================================================================================================

Regards,
-Harish Vashisth

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