OK, I just saw in my short look in given Chimera dialog that there is written only "File type: Prmtop" so that a bit confused me... Thanks, Best wishes, Marek Dne Thu, 07 Jun 2012 22:53:38 +0200 Elaine Meng <meng@cgl.ucsf.edu> napsal/-a:
Hi Marek,
On Jun 7, 2012, at 1:48 PM, Marek Maly wrote:
I also found (in actual alpha version) just possibility to save PRMTOP file but both input files: PRMTOP (ff parameters) and INPCRD (atom coordinates) are necessary to start simulation in Amber.
This doesn't solve the other issues, but I thought I should mention that Write Prmtop saves both prmtop and inpcrd using the filename you give it.
Elaine __________ Informace od ESET NOD32 Antivirus, verze databaze 7204 (20120607) __________
Tuto zpravu proveril ESET NOD32 Antivirus.
-- Tato zpráva byla vytvořena převratným poštovním klientem Opery: http://www.opera.com/mail/