reading tpx file (md_0_1.tpr) version 100 with version 83 program MD from version 5.1 and tpr converted to 5.0

[Nikhil M]

Dear all,
i have MD file which generated by gromacs 5.1.1 ,in order to use the g_mmpbsa i installed version 5.0 as per the last instruction from this forum and i converted the tpr file suing version 5.0
i have compiled from source "RashmiKumari-g_mmpbsa-v1.1.0-10-g42b3cf6"  this was the file i downloaded,when i invoke the g_mmpbsa comment as

 gmx grompp -f md.mdp -c npt.gro -t npt.cpt -p topol.top -n index.ndx -o md_0_1.tpr


i got the following
reading tpx file (md_0_1.tpr) version 100 with version 83 program

so these are not compatible

and i have seen this too
Program g_mmpbsa, VERSION 4.6.7

i request kind suggestion for this problem

(i have seen the post of new version of g_mmpbsa and link but which also downloading the above version instead of 1.6 ,so if the solution is to install new version of g_mmpbsa please provide me a valid link)

[Nikhil M]

sorry command was 

g_mmpbsa -f md_0_1.xtc -s md_0_1.tpr -n index.ndx -pdie 2 -decomp

[g_mmpbsa Mailing List]

It seems that the Gromacs version you are using for generating tpr file and compiling g_mmpbsa are different. As per the last post you were suggested to either compile the g_mmpbsa with Gromacs 5.1.x version (which is not tested yet) or generate the tpr file using Gromacs 5.0.x version and then use the same g_mmpbsa binary (http://rashmikumari.github.io/g_mmpbsa/package/GMX50x/g_mmpbsa.tar.gz) which you were using initially.

Also mention the cmake command you are using for compilation of g_mmpbsa. 

-DGMX_PATH=/opt/gromacs Which version of Gromacs is in this path?

[Nikhil Maroli]

Ok,actuallu i was compiling from source,when i used g_mmpbsa from binary it worked,

thanks