[gmx-users] Re: topology transformation
burisch at bph.rub.de
Fri May 12 11:43:37 CEST 2006
Anthony Cruz wrote:
> Thank you for your answer. I find it to day searching the mailing list because
> I have some problems with the mail and I dont receive this mail. I try the
> beta version but I got confised because i dont see the GROMOS terminology ej.
> gb_x, ga_x ect.
> If I use the beta version i could use the file as I get it from PRODRG? or I
> need to change it???
I always created .rtp building blocks for my residues and converted
the explicit PRODRG values to GROMOS nomenclature with the help of
But it is also possible to use explicit values with 43A1, one of my
students did it like this (PRODRG has some more angle types than
standard 43A1). You may check with gmxdump if the resulting .tpr is OK.
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