[gmx-users] ngmx doesnot work; CH3-CH2-OH
Mark.Abraham at anu.edu.au
Mon Jan 31 01:39:07 CET 2011
On 31/01/2011 11:34 AM, Justin A. Lemkul wrote:
> gromacs wrote:
>> Hi Everyone,
>> Program ngmx, VERSION 4.0.7
>> Source code file: ../../../../src/gmxlib/tpxio.c, line: 1708
>> Fatal error:
>> reading tpx file (md1.tpr) version 73 with version 58 program
>> I installed 4.0.7 before, and now i installed 4.5.3. How can i use
>> ngmx now?
> You need a compatible .tpr file, i.e. one generated with version
> 4.5.3, otherwise you have to use a 4.0.7 .tpr file with the 4.0.7
> version of ngmx. Higher versions can read older file formats, but the
> reverse is generally not true.
The OP is using 4.0.7 ngmx with 4.5.3 .tpr file. They have to use
software that is at least as recent as their .tpr.
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