[gmx-users] Re: A problem with do_dssp command

zugunder schlecht at mail.ru
Wed May 8 22:20:40 CEST 2013


And it seems to me more strange as there is no option "-na" - neither in
dssp, nor in do_dssp.

Or do I missing something? Just in case, here is my command:

$ g_do_dssp -s md_input_extended_to50ns.tpr -f md_product.xtc

where:

.tpr - after I extended the product tun a couple of times
.xtc - unchanged output after the last (extended) production run



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