AMBER Archive (2006)

Subject: AMBER: ptraj script

From: Jardas sucuriba (jarda_s_at_hotmail.com)
Date: Fri Aug 18 2006 - 15:08:31 CDT

Dear amber users,

I am having the following error while running ptraj:

...
Checking coordinates: md1.mdcrd
Checking coordinates: md2.mdcrd
Checking coordinates: contmd2.mdcrd

ERROR in getArgumentDouble(): Scanning double precision argument failed
*** glibc detected *** double free or corruption: 0x080faf22 ***
*** glibc detected *** double free or corruption: 0x080faf22 ***

My input file is:

trajin md1.mdcrd
trajin md2.mdcrd
trajin contmd2.mdcrd
center origin :1-256
image origin center familiar
atomicfluct out back_atomicflubyatom.apf @C,CA,N byatom
diffusion @CA time 0.2 CAtudo
solvent byname WAT TIP3
watershell :1-20 watwershellprotein.list
watershell :1 watershell1.list
watershell :2 watershell2.list
watershell :3 watershell3.list
watershell :4 watershell4.list
watershell :5 watershell5.list
watershell :6 watershell6.list
watershell :7 watershell7.list
watershell :8 watershell8.list
watershell :9 watershell9.list
watershell :10 watershell10.list
watershell :11 watershell11.list
watershell :12 watershell12.list
watershell :13 watershell13.list
watershell :14 watershell14.list
watershell :15 watershell15.list
watershell :16 watershell16.list
watershell :17 watershell17.list
watershell :18 watershell18.list
watershell :19 watershell19.list
watershell :20 watershell20.list
watershell :21 watershell21.list
watershell :22 watershell22.list
watershell :23 watershell23.list
watershell :24 watershell24.list
watershell :25 watershell25.list
watershell :26 watershell26.list
watershell :27 watershell27.list
watershell :28 watershell28.list
watershell :29 watershell29.list
watershell :30 watershell30.list
watershell :31 watershell31.list
watershell :32 watershell32.list
watershell :33 watershell33.list
watershell :34 watershell34.list
watershell :35 watershell35.list
watershell :36 watershell36.list
watershell :37 watershell37.list
watershell :38 watershell38.list
watershell :39 watershell39.list
watershell :40 watershell40.list

Does anyone know what is happening? Is there anything wrong with this
script?

Thanks in advance
Jardas

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