kindly assist

[Justice Mallen]

Hi

I am getting this error when i am trying to run gmx_mmgbsa. kindly assist

regards

justice

[Mario Sergio Valdes]

Please, make sure that all itp files listed in the topology file are in the same folder as the topology or they are correctly referenced in the #include statements

[Justice Mallen]

I did the above remedy and i am still getting the same error

[Mario Sergio Valdes]

Please, send me the files to check what's going on

[Mario Sergio Valdes]

Everything works fine for me. The error occurs when the temporary topology is generated, so I suspect that can be related. Do you have write permissions in the working folder?

[veena sukumaren]

Hai,

Kindly go through your topol.top and confirm that you have defined your. itp file there.

And in the mmbsa.in change the frames with different interval sets.This may work.

--
You received this message because you are subscribed to the Google Groups "gmx_MMPBSA" group.
To unsubscribe from this group and stop receiving emails from it, send an email to gmx_mmpbsa+...@googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/gmx_mmpbsa/fe5b72c3-abc0-4b3e-bfd4-f5ffe0282f9an%40googlegroups.com.
For more options, visit https://groups.google.com/d/optout.

[Justice Mallen]

no i dont 

i also tried to reduce the the number of frames and its still giving me the same error

Kind Regards

Justice J Mallen

justic...@gmail.com

[Mario Sergio Valdes]

The number of frames doesn't have any effect in this case. 

Please, try executing the calculation on your PC whit all permissions and check if it works

[Justice Mallen]

i am still getting the same error

Kind Regards

Justice J Mallen

justic...@gmail.com

To view this discussion on the web visit https://groups.google.com/d/msgid/gmx_mmpbsa/8a3bbfa4-21fc-45a3-b891-8dc4b2f2361en%40googlegroups.com.

[Mario Sergio Valdes]

Unfortunately, I can't reproduce this problem. I have done multiples test and it is still working fine for me.