I'm Deepa.I want to coarse grain a polymer chain.When I use the Build>coarse grain dialog, I get single .xsd file(the last trajectory) from a .xtd file consisting of 500 frames.I wish to obtain the coarse-grained .xtd files of all the frames.
I used the script which was posted in this thread "Coarse graining trajectory".The issue is , I wish to define my own bead type in the script.The script creates its own bead typing document when I run it.Could someone change the script file, where a pre-defined bead typing document (bead typing_pre defined.std file ) can be used as the input?
I have created a bead typing.std file.I want this to be used as the input in place of the bead typing.std file that is automatically generated by the code
I am a beginner.I don't know perl language.I am looking forward to some help.
I used the script which was posted in this thread "Coarse graining trajectory".The issue is , I wish to define my own bead type in the script.The script creates its own bead typing document when I run it.Could someone change the script file, where a pre-defined bead typing document (bead typing_pre defined.std file ) can be used as the input?
I have created a bead typing.std file.I want this to be used as the input in place of the bead typing.std file that is automatically generated by the code
I am a beginner.I don't know perl language.I am looking forward to some help.
Thanks in advance.
Deepa