Hello,

I'm a beginner of DS 2.5. I need someone's help.

I tried to dynamics simulation with ligand which was bound to serine and protein complex. But error massage was occurred in step 4 (elapsed time was approx. 5hrs).

Originally, I also met simillar problems in many times in SDC simulation so I tried to find troubleshootings in this Accelrys Community and the gentle minimization was needed before starting SDC simulation.

So I did the gentle minimization but I also got the error message as written below (the last massage in CHARMm.log file)

I used 1500steps of SD min(step1), 1500steps of CG min(step2), 10,000steps of heating(step3), 190,000 steps of equilibrium(step4), 800,000 steps of production(step5) in GBMV implicit (tot. 1ns MDsimulation I needed)

2Gb RAM, dual core CPU of hardware I used.

Can anyone tell me to solve this problem?

New Extents:        522 x        357 x        478

Grid size   178154424

***** LEVEL -1 WARNING FROM gbmv.src *****

***** Failed to allocate memory for index,ptr

******************************************

BOMLEV ( -2) IS NOT REACHED. WRNLEV IS  0

Thanks in advance